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

Systemtic Name: methyl 2-(2-benzamidoethanoylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[(2-benzamidoacetyl)amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[(2-benzamido-1-oxoethyl)amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-benzamidoacetyl)amino]-3-benzylsulfanylpropanoate Traditional Name: 3-(benzylthio)-2-(hippuroylamino)propionic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-26-20(25)17(14-27-13-15-8-4-2-5-9-15)22-18(23)12-21-19(24)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,21,24)(H,22,23)