<common-name>N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methylnonanamide</common-name> <description>N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methylnonanamide is a compound with the formula C50H94N14O12. With an average molecular weight of 1,083 g/mol, N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methylnonanamide is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3040246</pubchem-id> <chemical-formula>C50H94N14O12</chemical-formula> <weight>1083.4</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">2026-09-01T06:40:49Z</created-at> <updated-at type="dateTime">2026-09-01T06:40:49Z</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>CCCC(C)CCCCC(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O</moldb-smiles> <moldb-formula>C50H94N14O12</moldb-formula> <moldb-inchi>InChI=1S/C50H94N14O12/c1-9-12-29(6)13-10-11-14-39(67)63-41(31(8)66)50(76)60-34(17-22-53)43(69)59-36-19-24-55-49(75)40(30(7)65)64-46(72)35(18-23-54)57-42(68)32(15-20-51)58-47(73)37(25-27(2)3)62-48(74)38(26-28(4)5)61-44(70)33(16-21-52)56-45(36)71/h27-38,40-41,65-66H,9-26,51-54H2,1-8H3,(H,55,75)(H,56,71)(H,57,68)(H,58,73)(H,59,69)(H,60,76)(H,61,70)(H,62,74)(H,63,67)(H,64,72)</moldb-inchi> <moldb-inchikey>RQTRXDWQPLDBCB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1082.717564</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1</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>CHEM354733</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>N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methylnonanamide</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>CED0309057</sync-id> <structure-inchikey>RQTRXDWQPLDBCB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000004000000000800000001400000000000000000000000000100000000000003002044020000100001008000010000000000010000200000000000000000000000000000400000100000000000020000000010000000000009000100000000020010008008000000000000001000004020000800000000400020000100020000240000000000000220000020080001000000000000000000000001000100000408004000041000000080010000000000000000c0000000000200c000000000008000000000000200000000000000000440000020000100000000000000000000080008100402008008400010400000000000000000000800080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��L��L��€��`��`��`��`��`��`��`��`��`��(��(��h��`��`��`��`��(��(��h��`��`��`��`��(��(��h��`��`��`��h��(��(��`��h��(��(��`��h��(��(��`��h��(��(��`��h��(��(��`��h��(��(��`��h��(��(��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`�� (� � �� (�� (�� (�� !�!" "#(�"$�$%�%& &'(�&(�()�)* *+(�*,�,-�-. ./(�.0�01�12 23(�24�45�56 67(�48�89�9:�0;�;<�<=�<>�,?�?@�@A�@B�(C�CD�DE�$F�FG�GH� I�IJ�IK�6��B�� !"$%&()*,-.012456��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:56:27Z</structure-indexed-at> </compound>

358840 <common-name>N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methylnonanamide</common-name> <description>N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methylnonanamide is a compound with the formula C50H94N14O12. With an average molecular weight of 1,083 g/mol, N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methylnonanamide is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3040246</pubchem-id> <chemical-formula>C50H94N14O12</chemical-formula> <weight>1083.4</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">2026-09-01T06:40:49Z</created-at> <updated-at type="dateTime">2026-09-01T06:40:49Z</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>CCCC(C)CCCCC(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O</moldb-smiles> <moldb-formula>C50H94N14O12</moldb-formula> <moldb-inchi>InChI=1S/C50H94N14O12/c1-9-12-29(6)13-10-11-14-39(67)63-41(31(8)66)50(76)60-34(17-22-53)43(69)59-36-19-24-55-49(75)40(30(7)65)64-46(72)35(18-23-54)57-42(68)32(15-20-51)58-47(73)37(25-27(2)3)62-48(74)38(26-28(4)5)61-44(70)33(16-21-52)56-45(36)71/h27-38,40-41,65-66H,9-26,51-54H2,1-8H3,(H,55,75)(H,56,71)(H,57,68)(H,58,73)(H,59,69)(H,60,76)(H,61,70)(H,62,74)(H,63,67)(H,64,72)</moldb-inchi> <moldb-inchikey>RQTRXDWQPLDBCB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1082.717564</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1</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>CHEM354733</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>N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methylnonanamide</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>CED0309057</sync-id> <structure-inchikey>RQTRXDWQPLDBCB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000004000000000800000001400000000000000000000000000100000000000003002044020000100001008000010000000000010000200000000000000000000000000000400000100000000000020000000010000000000009000100000000020010008008000000000000001000004020000800000000400020000100020000240000000000000220000020080001000000000000000000000001000100000408004000041000000080010000000000000000c0000000000200c000000000008000000000000200000000000000000440000020000100000000000000000000080008100402008008400010400000000000000000000800080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��L��L��€��`��`��`��`��`��`��`��`��`��(��(��h��`��`��`��`��(��(��h��`��`��`��`��(��(��h��`��`��`��h��(��(��`��h��(��(��`��h��(��(��`��h��(��(��`��h��(��(��`��h��(��(��`��h��(��(��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`��`�� (� � �� (�� (�� (�� !�!" "#(�"$�$%�%& &'(�&(�()�)* *+(�*,�,-�-. ./(�.0�01�12 23(�24�45�56 67(�48�89�9:�0;�;<�<=�<>�,?�?@�@A�@B�(C�CD�DE�$F�FG�GH� I�IJ�IK�6��B�� !"$%&()*,-.012456��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:56:27Z</structure-indexed-at> </compound>