3-methyl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[3-(trifluoromethyl)-1-pyrazolyl]ethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]valeric acid Formula: C12H16F3N3O3 MolecularWeight: 307.26895

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CN1C=CC(=N1)C(F)(F)F

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CN1C=CC(=N1)C(F)(F)F

InChI

InChI=1S/C12H16F3N3O3/c1-3-7(2)10(11(20)21)16-9(19)6-18-5-4-8(17-18)12(13,14)15/h4-5,7,10H,3,6H2,1-2H3,(H,16,19)(H,20,21)