methyl 2-(2-benzamidoethanoylamino)-3-sulfanyl-propanoate

Systemtic Name: methyl 2-(2-benzamidoethanoylamino)-3-sulfanyl-propanoate Openeye Name: methyl 2-[(2-benzamidoacetyl)amino]-3-sulfanyl-propanoate CAS Name: 2-[(2-benzamido-1-oxoethyl)amino]-3-mercaptopropanoic acid methyl ester IUPAC Name: methyl 2-[(2-benzamidoacetyl)amino]-3-sulfanylpropanoate Traditional Name: 2-(hippuroylamino)-3-mercapto-propionic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)NC(=O)CNC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CS)NC(=O)CNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H16N2O4S/c1-19-13(18)10(8-20)15-11(16)7-14-12(17)9-5-3-2-4-6-9/h2-6,10,20H,7-8H2,1H3,(H,14,17)(H,15,16)