224498 <common-name>Pyridin-4-ylmethyl 4-methyl-2-[[3-methyl-2-[[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]pentanoate</common-name> <description>Pyridin-4-ylmethyl 4-methyl-2-[[3-methyl-2-[[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]pentanoate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 1,050 g/mol, Pyridin-4-ylmethyl 4-methyl-2-[[3-methyl-2-[[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]pentanoate is a heavy molecule. Its chemical formula is C55H71N9O12.</description> <cas>86063-97-0</cas> <pubchem-id>3664276</pubchem-id> <chemical-formula>C55H71N9O12</chemical-formula> <weight>1050.2</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">2026-08-22T19:35:29Z</created-at> <updated-at type="dateTime">2026-08-22T19:35:29Z</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 nil="true"/> <moldb-formula>C55H71N9O12</moldb-formula> <moldb-inchi>InChI=1S/C55H71N9O12/c1-33(2)28-45(53(71)75-32-40-24-26-56-27-25-40)61-52(70)46(34(3)4)63-51(69)43(29-37-16-12-10-13-17-37)60-50(68)42(31-39-20-22-41(23-21-39)64(73)74)59-48(66)36(6)57-47(65)35(5)58-49(67)44(30-38-18-14-11-15-19-38)62-54(72)76-55(7,8)9/h10-27,33-36,42-46H,28-32H2,1-9H3,(H,57,65)(H,58,67)(H,59,66)(H,60,68)(H,61,70)(H,62,72)(H,63,69)</moldb-inchi> <moldb-inchikey>DDDZLWFGNQMCLJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1050.2</moldb-average-mass> <moldb-mono-mass type="decimal">1049.522219</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7</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>CHEM220391</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>pyridin-4-ylmethyl 4-methyl-2-[[3-methyl-2-[[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]pentanoate</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">0</paper-count> <sync-id>CED0185958</sync-id> <structure-inchikey nil="true"/> <structure-fingerprint nil="true"/> <structure-pattern-fingerprint nil="true"/> <structure-pickle type="binary" nil="true" encoding="base64"/> <structure-indexed-at type="dateTime" nil="true"/> </compound>