4-methyl-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-(1-phenylpyrazol-3-yl)propan-2-yl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-(1-phenylpyrazol-3-yl)propan-2-yl]amino]pentanoic acid Openeye Name: 2-[[2-tert-butoxy-2-oxo-1-[(1-phenylpyrazol-3-yl)methyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(1-phenyl-3-pyrazolyl)propan-2-yl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(1-phenylpyrazol-3-yl)propan-2-yl]amino]pentanoic acid Traditional Name: 2-[[2-tert-butoxy-2-keto-1-[(1-phenylpyrazol-3-yl)methyl]ethyl]amino]-4-methyl-valeric acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=NN(C=C1)C2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=NN(C=C1)C2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O4/c1-15(2)13-18(20(26)27)23-19(21(28)29-22(3,4)5)14-16-11-12-25(24-16)17-9-7-6-8-10-17/h6-12,15,18-19,23H,13-14H2,1-5H3,(H,26,27)