[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OC(C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-10-5-4-6-12(9-10)15(20)18-13(7-8-23-3)16(21)22-11(2)14(17)19/h4-6,9,11,13H,7-8H2,1-3H3,(H2,17,19)(H,18,20)/t11-,13-/m1/s1