<common-name>(2s)-2-[[2-[[(3r)-2-[(2s)-2-[[(2s)-2-[[2-[[(2s,4r)-1-[(2s)-1-[(2s)-2-[[(2r)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1h-isoquinoline-3-carbonyl]-cyclohexylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid</common-name> <description>(2s)-2-[[2-[[(3r)-2-[(2s)-2-[[(2s)-2-[[2-[[(2s,4r)-1-[(2s)-1-[(2s)-2-[[(2r)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1h-isoquinoline-3-carbonyl]-cyclohexylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid has the chemical formula C58H89N19O13S. With an average molecular weight of 1,292 g/mol, (2s)-2-[[2-[[(3r)-2-[(2s)-2-[[(2s)-2-[[2-[[(2s,4r)-1-[(2s)-1-[(2s)-2-[[(2r)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1h-isoquinoline-3-carbonyl]-cyclohexylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>9833644</pubchem-id> <chemical-formula>C58H89N19O13S</chemical-formula> <weight>1292.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-09-01T07:37:00Z</created-at> <updated-at type="dateTime">2026-09-01T07:37:00Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1CCC(CC1)N(CC(=O)NC(CCCN=C(N)N)C(=O)O)C(=O)C2CC3=CC=CC=C3CN2C(=O)C(CO)NC(=O)C(CC4=CC=CS4)NC(=O)CNC(=O)C5CC(CN5C(=O)C6CCCN6C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)O</moldb-smiles> <moldb-formula>C58H89N19O13S</moldb-formula> <moldb-inchi>InChI=1S/C58H89N19O13S/c59-38(16-6-20-66-56(60)61)48(82)72-39(17-7-21-67-57(62)63)51(85)74-23-9-19-43(74)53(87)77-30-36(79)26-44(77)50(84)69-28-46(80)71-41(27-37-15-10-24-91-37)49(83)73-42(32-78)52(86)76-29-34-12-5-4-11-33(34)25-45(76)54(88)75(35-13-2-1-3-14-35)31-47(81)70-40(55(89)90)18-8-22-68-58(64)65/h4-5,10-12,15,24,35-36,38-45,78-79H,1-3,6-9,13-14,16-23,25-32,59H2,(H,69,84)(H,70,81)(H,71,80)(H,72,82)(H,73,83)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t36-,38-,39+,40+,41+,42+,43+,44+,45-/m1/s1</moldb-inchi> <moldb-inchikey>UZTHIUKOCVEJNZ-GWJNKJQQSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1291.660795</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-6.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM355378</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2s)-2-[[2-[[(3r)-2-[(2s)-2-[[(2s)-2-[[2-[[(2s,4r)-1-[(2s)-1-[(2s)-2-[[(2r)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1h-isoquinoline-3-carbonyl]-cyclohexylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0309697</sync-id> <structure-inchikey>UZTHIUKOCVEJNZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>6002000000400000000180100008040000088108000000004c000002010060000000000000000000000001012000000104000808000000020002000020800000000010000000000400020000040008000020800010004000000004009000000000002002094000000000400000104020000000030100000000402000000000300800000005000000800082000000000080001000020100000000080000c00000000800000004000008000000080040000000004080000020408000004000010100000001000000000002888000000000000000800008100000008210000000000000000021000840000040000000010422000020000000008000080480000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��[��`��€��`��`��`��`��`��`��(��`��(��(��h��`��`��`��`��(��(��h��h��(��(��h��(��(��`��`��@(��@h��@h��@h��@h��@(��`��(��(��(��`��`��`��h��(��(��`��`��@(��@h��@h��@h��@(��h��(��(��`��h��(��(��`��`��`��`��(��(��(��`��`��`��`��(��(��(��`��`��`��`��(��(��h��h��h��(��(��`��`��`��`��(��(��h��h��`��`�� (�� (�� (�� (��h��h��h��h��h�� !�!" "#(�"$�$%�%&�$'�'( ()(�(*�*+�+,�,-h�-.h�./h�/0h�*1�12 23(�24�45�56 67(�68�89�9:�:;�;<�<= =>(�=?�?@�@A�AB�BC�CD DE(�DF�FG�GH�HI�IJ�JK(�KL KM FN�NO OP(�OQ�QR�RS�ST�TU�UV(�VW VX QY�:Z��!��h�0,h�<8�C?�B�� !��-,0/.�98<;:�@?CBA��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:56:59Z</structure-indexed-at> </compound>

359485 <common-name>(2s)-2-[[2-[[(3r)-2-[(2s)-2-[[(2s)-2-[[2-[[(2s,4r)-1-[(2s)-1-[(2s)-2-[[(2r)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1h-isoquinoline-3-carbonyl]-cyclohexylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid</common-name> <description>(2s)-2-[[2-[[(3r)-2-[(2s)-2-[[(2s)-2-[[2-[[(2s,4r)-1-[(2s)-1-[(2s)-2-[[(2r)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1h-isoquinoline-3-carbonyl]-cyclohexylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid has the chemical formula C58H89N19O13S. With an average molecular weight of 1,292 g/mol, (2s)-2-[[2-[[(3r)-2-[(2s)-2-[[(2s)-2-[[2-[[(2s,4r)-1-[(2s)-1-[(2s)-2-[[(2r)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1h-isoquinoline-3-carbonyl]-cyclohexylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>9833644</pubchem-id> <chemical-formula>C58H89N19O13S</chemical-formula> <weight>1292.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-09-01T07:37:00Z</created-at> <updated-at type="dateTime">2026-09-01T07:37:00Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1CCC(CC1)N(CC(=O)NC(CCCN=C(N)N)C(=O)O)C(=O)C2CC3=CC=CC=C3CN2C(=O)C(CO)NC(=O)C(CC4=CC=CS4)NC(=O)CNC(=O)C5CC(CN5C(=O)C6CCCN6C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)O</moldb-smiles> <moldb-formula>C58H89N19O13S</moldb-formula> <moldb-inchi>InChI=1S/C58H89N19O13S/c59-38(16-6-20-66-56(60)61)48(82)72-39(17-7-21-67-57(62)63)51(85)74-23-9-19-43(74)53(87)77-30-36(79)26-44(77)50(84)69-28-46(80)71-41(27-37-15-10-24-91-37)49(83)73-42(32-78)52(86)76-29-34-12-5-4-11-33(34)25-45(76)54(88)75(35-13-2-1-3-14-35)31-47(81)70-40(55(89)90)18-8-22-68-58(64)65/h4-5,10-12,15,24,35-36,38-45,78-79H,1-3,6-9,13-14,16-23,25-32,59H2,(H,69,84)(H,70,81)(H,71,80)(H,72,82)(H,73,83)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t36-,38-,39+,40+,41+,42+,43+,44+,45-/m1/s1</moldb-inchi> <moldb-inchikey>UZTHIUKOCVEJNZ-GWJNKJQQSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1291.660795</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-6.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM355378</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2s)-2-[[2-[[(3r)-2-[(2s)-2-[[(2s)-2-[[2-[[(2s,4r)-1-[(2s)-1-[(2s)-2-[[(2r)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1h-isoquinoline-3-carbonyl]-cyclohexylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> 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<structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��[��`��€��`��`��`��`��`��`��(��`��(��(��h��`��`��`��`��(��(��h��h��(��(��h��(��(��`��`��@(��@h��@h��@h��@h��@(��`��(��(��(��`��`��`��h��(��(��`��`��@(��@h��@h��@h��@(��h��(��(��`��h��(��(��`��`��`��`��(��(��(��`��`��`��`��(��(��(��`��`��`��`��(��(��h��h��h��(��(��`��`��`��`��(��(��h��h��`��`�� (�� (�� (�� (��h��h��h��h��h�� !�!" "#(�"$�$%�%&�$'�'( ()(�(*�*+�+,�,-h�-.h�./h�/0h�*1�12 23(�24�45�56 67(�68�89�9:�:;�;<�<= =>(�=?�?@�@A�AB�BC�CD DE(�DF�FG�GH�HI�IJ�JK(�KL KM FN�NO OP(�OQ�QR�RS�ST�TU�UV(�VW VX QY�:Z��!��h�0,h�<8�C?�B�� !��-,0/.�98<;:�@?CBA��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:56:59Z</structure-indexed-at> </compound>