[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2R)-2-benzamido-4-(methylthio)butanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2R)-2-benzamido-4-(methylthio)butyric acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-28-13-12-18(23-20(25)17-10-6-3-7-11-17)21(26)27-15-19(24)22-14-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3,(H,22,24)(H,23,25)/t18-/m1/s1