221029 <common-name>N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[11-(2-amino-2-oxoethyl)-8-(3-amino-3-oxopropyl)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carbonyl]pyrrolidine-2-carboxamide</common-name> <description>N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[11-(2-amino-2-oxoethyl)-8-(3-amino-3-oxopropyl)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carbonyl]pyrrolidine-2-carboxamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C48H68N14O12. With an average molecular weight of 1,033 g/mol, N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[11-(2-amino-2-oxoethyl)-8-(3-amino-3-oxopropyl)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carbonyl]pyrrolidine-2-carboxamide is a heavy molecule.</description> <cas>24057-83-8</cas> <pubchem-id>168160</pubchem-id> <chemical-formula>C48H68N14O12</chemical-formula> <weight>1033.1</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">2026-08-22T15:05:55Z</created-at> <updated-at type="dateTime">2026-08-22T15:05:55Z</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>C48H68N14O12</moldb-formula> <moldb-inchi>InChI=1S/C48H68N14O12/c49-37(64)20-19-31-42(69)61-35(25-38(50)65)45(72)59-32(47(74)62-22-8-13-36(62)46(73)58-30(12-7-21-54-48(52)53)41(68)55-26-39(51)66)11-5-2-6-14-40(67)56-33(24-28-15-17-29(63)18-16-28)43(70)60-34(44(71)57-31)23-27-9-3-1-4-10-27/h1,3-4,9-10,15-18,30-36,63H,2,5-8,11-14,19-26H2,(H2,49,64)(H2,50,65)(H2,51,66)(H,55,68)(H,56,67)(H,57,71)(H,58,73)(H,59,72)(H,60,70)(H,61,69)(H4,52,53,54)</moldb-inchi> <moldb-inchikey>RNZNNGJIIRKABQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1033.1</moldb-average-mass> <moldb-mono-mass type="decimal">1032.514114</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-3.1</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>CHEM216922</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-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[11-(2-amino-2-oxoethyl)-8-(3-amino-3-oxopropyl)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carbonyl]pyrrolidine-2-carboxamide</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>CED0119216</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>