(2S)-2-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(2-fluorophenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[2-(2-fluorophenyl)-4-methyl-5-thiazolyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(2-fluorophenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-methyl-butyrate Formula: C16H16FN2O3S- MolecularWeight: 335.373243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2F)C(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2F)C(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C16H17FN2O3S/c1-8(2)12(16(21)22)19-14(20)13-9(3)18-15(23-13)10-6-4-5-7-11(10)17/h4-8,12H,1-3H3,(H,19,20)(H,21,22)/p-1/t12-/m0/s1