[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/c1-10-4-6-12(7-5-10)18-14(20)11(2)23-15(21)13(8-9-24-3)19-16(17)22/h4-7,11,13H,8-9H2,1-3H3,(H,18,20)(H3,17,19,22)/t11-,13+/m1/s1