(2R)-2-[(4-cyano-3-oxidanyl-butanoyl)amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-[(4-cyano-3-oxidanyl-butanoyl)amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: (2R)-3-benzylsulfanyl-2-[(4-cyano-3-hydroxy-butanoyl)amino]propanoic acid CAS Name: (2R)-2-[(4-cyano-3-hydroxy-1-oxobutyl)amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: (2R)-3-benzylsulfanyl-2-[(4-cyano-3-hydroxybutanoyl)amino]propanoic acid Traditional Name: (2R)-3-(benzylthio)-2-[(4-cyano-3-hydroxy-butanoyl)amino]propionic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)CC(CC#N)O

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)CC(CC#N)O

InChI

InChI=1S/C15H18N2O4S/c16-7-6-12(18)8-14(19)17-13(15(20)21)10-22-9-11-4-2-1-3-5-11/h1-5,12-13,18H,6,8-10H2,(H,17,19)(H,20,21)/t12?,13-/m0/s1