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

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-anilino-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-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-15-8-7-9-17(14-15)21(26)24-19(12-13-29-3)22(27)28-16(2)20(25)23-18-10-5-4-6-11-18/h4-11,14,16,19H,12-13H2,1-3H3,(H,23,25)(H,24,26)/t16-,19-/m1/s1