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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-3-10(2)14(16(21)22)19-13(20)8-11-9-23-15(18-11)12-6-4-5-7-17-12/h4-7,9-10,14H,3,8H2,1-2H3,(H,19,20)(H,21,22)/t10-,14-/m0/s1