340802 <common-name>Methyl (3s)-4-[(2s)-2-[[(2s)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(2-propylpentanoylamino)butanoate</common-name> <description>Methyl (3s)-4-[(2s)-2-[[(2s)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(2-propylpentanoylamino)butanoate has the chemical formula C24H42N6O6. With an average molecular weight of 510.60 g/mol, Methyl (3s)-4-[(2s)-2-[[(2s)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(2-propylpentanoylamino)butanoate is a heavy molecule.</description> <cas>151275-19-3</cas> <pubchem-id>9806376</pubchem-id> <chemical-formula>C24H42N6O6</chemical-formula> <weight>510.6</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">2026-08-31T00:38:56Z</created-at> <updated-at type="dateTime">2026-08-31T00:38:56Z</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(CCC)C(=O)NC(CC(=O)OC)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C=O</moldb-smiles> <moldb-formula>C24H42N6O6</moldb-formula> <moldb-inchi>InChI=1S/C24H42N6O6/c1-4-8-16(9-5-2)21(33)29-18(14-20(32)36-3)23(35)30-13-7-11-19(30)22(34)28-17(15-31)10-6-12-27-24(25)26/h15-19H,4-14H2,1-3H3,(H,28,34)(H,29,33)(H4,25,26,27)/t17-,18-,19-/m0/s1</moldb-inchi> <moldb-inchikey>ICMSWQUELAGTTR-FHWLQOOXSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">510.3165831</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</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>CHEM336695</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>Methyl (3s)-4-[(2s)-2-[[(2s)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(2-propylpentanoylamino)butanoate</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>CED0291204</sync-id> <structure-inchikey>ICMSWQUELAGTTR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000100000000000000800000080400000980000000000050000008000020000000000002000000000000012000000000000000000000020000000000800008000010000000000400000000000084000020000000004300000004009000000000000022010000000040000000000000000000020100000000002000000800100800000040000000000000000020000080001000100000000000000000000200002000000004004000000000002000000000004000000000008000000080000000000000000000004000000040002000000000000000000000008000000000000000000080000000000004000000010402000000000000000000080080000000</structure-fingerprint> <structure-pattern-fingerprint>5004802005128e00890013408138a0000000140281052000003400c08220084c440600d0118000000100410800c0000004600285808c12210204643100a04000c71104001090040040901060007203000804048051211a3340440462400209000c28012b0048020060000000d5b40044208080500905e1043138026002500002104400180ef0820808060250c82c0008391c081244409c0a500408a060408084005310110090c00000000960056c35104ac002008901080018010a1008400a02a01100a404980032008006045451029008010000020058200d60000408010200900048121889000011400081581220821050003082c2042c0000108050030006</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������$���$���€���`�������`�������`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������(�������(�������(�������`�������(�������(�������(�������`�������`�������`�������`�������(�������(�������h��������`�������`�������`�������`�������(�������(�������h��������h��������h��������(�����������������������������(�� � ������ (��� ��� ����(��� �����������������(��� �����������������(�� �! �"�"#�����B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:40:56Z</structure-indexed-at> </compound>