[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C17H21N3O3S2/c1-11-3-5-12(6-4-11)15-19-13(10-25-15)9-23-16(21)14(7-8-24-2)20-17(18)22/h3-6,10,14H,7-9H2,1-2H3,(H3,18,20,22)/t14-/m0/s1