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

Systemtic Name: (2S)-3-methyl-2-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-[2-(2-pyridyl)thiazol-4-yl]acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[2-(2-pyridinyl)-4-thiazolyl]ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-[2-(2-pyridyl)thiazol-4-yl]acetyl]amino]butyrate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S/c1-9(2)13(15(20)21)18-12(19)7-10-8-22-14(17-10)11-5-3-4-6-16-11/h3-6,8-9,13H,7H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1