91563 <common-name>P-nitrophenyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate</common-name> <description>P-nitrophenyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C17H24N3O7S and an average molecular weight of 413.45 g/mol. It is further classified under the superclass of organic acids and derivatives.</description> <cas>58651-76-6</cas> <pubchem-id>12932263</pubchem-id> <chemical-formula>C17H24N3O7S</chemical-formula> <weight nil="true"/> <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">2026-04-05T00:55:41Z</created-at> <updated-at type="dateTime">2026-04-05T00:55:41Z</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>CC(O)=NCSCC(N=C(O)OC(C)(C)C)C(=O)OC1=CC=C(C=C1)N(=O)=O</moldb-smiles> <moldb-formula>C17H24N3O7S</moldb-formula> <moldb-inchi>InChI=1/C17H23N3O7S/c1-11(21)18-10-28-9-14(19-16(23)27-17(2,3)4)15(22)26-13-7-5-12(6-8-13)20(24)25/h5-8,14H,9-10H2,1-4H3,(H,18,21)(H,19,23)</moldb-inchi> <moldb-inchikey>YMMVJNPHWLDKCQ-AWEZNQCLSA-N</moldb-inchikey> <moldb-average-mass type="decimal">413.45</moldb-average-mass> <moldb-mono-mass type="decimal">414.1334961</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM087456</chemdb-id> <dsstox-id>DTXSID40974190</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00052847</susdat-id> <iupac nil="true"/> <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>CED0152475</sync-id> <structure-inchikey>YMMVJNPHWLDKCQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000010000000800008002800000010000000000000000000010000000000800000000000200000000000000004800000000000000000000000000000000004000000000000000000000000000020000000000500001204000008400040000000010000000200000000000000020000000000004000000000000000400000000040000000040000000000000000000000001000000080000000000020000000020000000000000000080000000000180002000000008000000000000000000000020000000000000000000000010000000000001040008200000000000000420000000004100040000000010400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������h��������(�������`������� ������`�������`�������(�������(�������h��������(������� ������`�������`�������`�������(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������*��������*���ÿ����(����������� ��(����������������� (� � ���� ������������(��� �� ��h���h���h���h���h��� �� ��(���h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:33:56Z</structure-indexed-at> </compound>