(2S)-2-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanoylamino]hexanoate

Systemtic Name: (2S)-2-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanoylamino]hexanoate Openeye Name: (2S)-2-[[2-[2-(2-pyridyl)thiazol-4-yl]acetyl]amino]hexanoate CAS Name: (2S)-2-[[1-oxo-2-[2-(2-pyridinyl)-4-thiazolyl]ethyl]amino]hexanoate IUPAC Name: (2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoate Traditional Name: (2S)-2-[[2-[2-(2-pyridyl)thiazol-4-yl]acetyl]amino]hexanoate Formula: C16H18N3O3S- MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-2-3-6-13(16(21)22)19-14(20)9-11-10-23-15(18-11)12-7-4-5-8-17-12/h4-5,7-8,10,13H,2-3,6,9H2,1H3,(H,19,20)(H,21,22)/p-1/t13-/m0/s1