(2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(3-cyclopentyl-1-phenyl-4-pyrazolyl)methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(3-cyclopentyl-1-phenylpyrazol-4-yl)methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-methyl-butyric acid Formula: C20H22N3O2 MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CN(N=C1[C]2[CH][CH][CH][CH]2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NCC1=CN(N=C1[C]2[CH][CH][CH][CH]2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N3O2/c1-14(2)18(20(24)25)21-12-16-13-23(17-10-4-3-5-11-17)22-19(16)15-8-6-7-9-15/h3-11,13-14,18,21H,12H2,1-2H3,(H,24,25)/t18-/m0/s1