(2R)-2-[(2R)-4-oxidanylidene-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoic acid

Systemtic Name: (2R)-2-[(2R)-4-oxidanylidene-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoic acid Openeye Name: (2R)-2-[(1R)-1-methyl-3-oxo-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid CAS Name: (2R)-2-[(2R)-4-oxo-4-[(1-phenyl-3-pyrazolyl)amino]butan-2-yl]hexanoic acid IUPAC Name: (2R)-2-[(2R)-4-oxo-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoic acid Traditional Name: (2R)-2-[(1R)-3-keto-1-methyl-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCC[C@H]([C@H](C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H25N3O3/c1-3-4-10-16(19(24)25)14(2)13-18(23)20-17-11-12-22(21-17)15-8-6-5-7-9-15/h5-9,11-12,14,16H,3-4,10,13H2,1-2H3,(H,24,25)(H,20,21,23)/t14-,16-/m1/s1