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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C(CC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C21H21N3O3S/c1-14-7-9-16(10-8-14)19-23-17(13-28-19)12-27-20(25)18(24-21(22)26)11-15-5-3-2-4-6-15/h2-10,13,18H,11-12H2,1H3,(H3,22,24,26)/t18-/m0/s1