methyl (2R)-2-(2-benzamidoethanoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-(2-benzamidoethanoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[(2-benzamidoacetyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(2-benzamido-1-oxoethyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2-benzamidoacetyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-(hippuroylamino)-4-(methylthio)butyric acid methyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@@H](CCSC)NC(=O)CNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H20N2O4S/c1-21-15(20)12(8-9-22-2)17-13(18)10-16-14(19)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,16,19)(H,17,18)/t12-/m1/s1