(2S)-2-[[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-methyl-2-(p-tolyl)thiazole-5-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-methyl-2-(4-methylphenyl)-5-thiazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-methyl-2-(p-tolyl)thiazole-5-carbonyl]amino]-3-phenyl-propionic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C21H20N2O3S/c1-13-8-10-16(11-9-13)20-22-14(2)18(27-20)19(24)23-17(21(25)26)12-15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3,(H,23,24)(H,25,26)/t17-/m0/s1