(2R)-2-(2-benzamidoethanoylsulfanyl)propanoate

Systemtic Name: (2R)-2-(2-benzamidoethanoylsulfanyl)propanoate Openeye Name: (2R)-2-(2-benzamidoacetyl)sulfanylpropanoate CAS Name: (2R)-2-[(2-benzamido-1-oxoethyl)thio]propanoate IUPAC Name: (2R)-2-(2-benzamidoacetyl)sulfanylpropanoate Traditional Name: (2R)-2-(hippuroylthio)propionate Formula: C12H12NO4S- MolecularWeight: 266.29298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC(=O)CNC(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@H](C(=O)[O-])SC(=O)CNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H13NO4S/c1-8(12(16)17)18-10(14)7-13-11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,15)(H,16,17)/p-1/t8-/m1/s1