(2-oxidanylidene-2-phenylazanyl-ethyl) (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-anilino-2-oxo-ethyl) (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid (2-anilino-2-keto-ethyl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-15-7-6-8-16(13-15)20(25)23-18(11-12-28-2)21(26)27-14-19(24)22-17-9-4-3-5-10-17/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,24)(H,23,25)/t18-/m1/s1