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

Systemtic Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[(3-cyclopentyl-1-phenyl-4-pyrazolyl)methylamino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(3-cyclopentyl-1-phenylpyrazol-4-yl)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-4-(methylthio)butyric acid Formula: C20H22N3O2S MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N3O2S/c1-26-12-11-18(20(24)25)21-13-16-14-23(17-9-3-2-4-10-17)22-19(16)15-7-5-6-8-15/h2-10,14,18,21H,11-13H2,1H3,(H,24,25)/t18-/m0/s1