(2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[(3-cyclopentyl-1-phenyl-4-pyrazolyl)methylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(3-cyclopentyl-1-phenylpyrazol-4-yl)methylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(1H-indol-3-yl)propionic acid Formula: C26H23N4O2 MolecularWeight: 423.48642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)[C]3[CH][CH][CH][CH]3)CNC(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)[C]3[CH][CH][CH][CH]3)CN[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C26H23N4O2/c31-26(32)24(14-19-15-27-23-13-7-6-12-22(19)23)28-16-20-17-30(21-10-2-1-3-11-21)29-25(20)18-8-4-5-9-18/h1-13,15,17,24,27-28H,14,16H2,(H,31,32)/t24-/m0/s1