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

Systemtic Name: (2S)-4-methyl-2-[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[[4-methyl-2-(2-pyridinyl)-5-thiazolyl]-oxomethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]valerate Formula: C16H18N3O3S- MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NC(CC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)N[C@@H](CC(C)C)C(=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-9(2)8-12(16(21)22)19-14(20)13-10(3)18-15(23-13)11-6-4-5-7-17-11/h4-7,9,12H,8H2,1-3H3,(H,19,20)(H,21,22)/p-1/t12-/m0/s1