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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3S/c1-16(2)22(26-21(27)13-18-7-5-4-6-8-18)24(28)29-14-20-15-30-23(25-20)19-11-9-17(3)10-12-19/h4-12,15-16,22H,13-14H2,1-3H3,(H,26,27)/t22-/m0/s1