2-azanyl-2-ethanoylsulfanyl-3-oxidanylidene-5-(4-phenylmethoxycarbonyloxyphenyl)pentanoic acid

Systemtic Name: 2-azanyl-2-ethanoylsulfanyl-3-oxidanylidene-5-(4-phenylmethoxycarbonyloxyphenyl)pentanoic acid Openeye Name: 2-acetylsulfanyl-2-amino-5-(4-benzyloxycarbonyloxyphenyl)-3-oxo-pentanoic acid CAS Name: 2-(acetylthio)-2-amino-3-oxo-5-(4-phenylmethoxycarbonyloxyphenyl)pentanoic acid IUPAC Name: 2-acetylsulfanyl-2-amino-3-oxo-5-(4-phenylmethoxycarbonyloxyphenyl)pentanoic acid Traditional Name: 2-(acetylthio)-2-amino-5-(4-carbobenzoxyoxyphenyl)-3-keto-valeric acid Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C(=O)CCC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

CC(=O)SC(C(=O)CCC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C21H21NO7S/c1-14(23)30-21(22,19(25)26)18(24)12-9-15-7-10-17(11-8-15)29-20(27)28-13-16-5-3-2-4-6-16/h2-8,10-11H,9,12-13,22H2,1H3,(H,25,26)