1-[4-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid

Systemtic Name: 1-[4-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid Openeye Name: 1-[4-acetylsulfanyl-2-(benzyloxycarbonylamino)butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid CAS Name: 1-[4-(acetylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid IUPAC Name: 1-[4-acetylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid Traditional Name: 1-[4-(acetylthio)-2-(benzyloxycarbonylamino)butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C(=O)N1C=CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCCC(C(=O)N1C=CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O6S/c1-14(23)29-12-10-16(18(24)22-11-6-5-9-17(22)19(25)26)21-20(27)28-13-15-7-3-2-4-8-15/h2-4,6-8,11,16-17H,5,9-10,12-13H2,1H3,(H,21,27)(H,25,26)