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

Systemtic Name: (2S,3S)-3-methyl-2-[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonylamino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[[4-methyl-2-(2-pyridinyl)-5-thiazolyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]valeric acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=C(N=C(S1)C2=CC=CC=N2)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=C(N=C(S1)C2=CC=CC=N2)C

InChI

InChI=1S/C16H19N3O3S/c1-4-9(2)12(16(21)22)19-14(20)13-10(3)18-15(23-13)11-7-5-6-8-17-11/h5-9,12H,4H2,1-3H3,(H,19,20)(H,21,22)/t9-,12-/m0/s1