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

Systemtic Name: 4-methyl-2-[2-[2-(pyridin-3-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)thiazol-4-yl]acetyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-[2-[[oxo(3-pyridinyl)methyl]amino]-4-thiazolyl]ethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-(2-nicotinamidothiazol-4-yl)acetyl]amino]valeric acid Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-10(2)6-13(16(24)25)20-14(22)7-12-9-26-17(19-12)21-15(23)11-4-3-5-18-8-11/h3-5,8-10,13H,6-7H2,1-2H3,(H,20,22)(H,24,25)(H,19,21,23)