85755 <common-name>N-(benzyloxycarbonyl)-L-valine</common-name> <description>N-(benzyloxycarbonyl)-L-valine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid and derivative has the formula C13H17NO4 and an average molecular weight of 251.28 g/mol.</description> <cas>1149-26-4</cas> <pubchem-id>726987</pubchem-id> <chemical-formula>C13H17NO4</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">2026-04-04T20:50:30Z</created-at> <updated-at type="dateTime">2026-04-04T20:50:30Z</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>COC(=O)CCCCC(=O)NC1=CC=C(O)C=C1</moldb-smiles> <moldb-formula>C13H17NO4</moldb-formula> <moldb-inchi>InChI=1/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)</moldb-inchi> <moldb-inchikey>CANZBRDGRHNSGZ-NSHDSACASA-N</moldb-inchikey> <moldb-average-mass type="decimal">251.282</moldb-average-mass> <moldb-mono-mass type="decimal">251.115758</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>CHEM081648</chemdb-id> <dsstox-id>DTXSID10921535</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00045935</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">6</paper-count> <sync-id>CED0041124</sync-id> <structure-inchikey>QYYVGUHQHRXRNA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000040000000008000000000000000000000000001100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000001000000000000400000000000000100000000500000000000000400000000000000000000000000000000000000400004000000000000000000800000000000000000000000000010000000000040000000000000000a2001000000000000000000000000000000000000000008000000002000000000000000000000000000020000000200000020000000008000000000000040000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������`�������`�������`�������(�������(�������h�������@(������@h�������@h�������@(�������h�������@h�������@h������������ ��(����������������� (�� � ��h�� h� �h��� ��h���h���h�B��������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:30:26Z</structure-indexed-at> </compound>