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

Systemtic Name: (2S)-4-methyl-2-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanoylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[2-[2-(2-pyridyl)thiazol-4-yl]acetyl]amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[1-oxo-2-[2-(2-pyridinyl)-4-thiazolyl]ethyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[[2-[2-(2-pyridyl)thiazol-4-yl]acetyl]amino]valeric acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CC1=CSC(=N1)C2=CC=CC=N2

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CC1=CSC(=N1)C2=CC=CC=N2

InChI

InChI=1S/C16H19N3O3S/c1-10(2)7-13(16(21)22)19-14(20)8-11-9-23-15(18-11)12-5-3-4-6-17-12/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,20)(H,21,22)/t13-/m0/s1