(2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[(3-cyclopentyl-1-phenyl-4-pyrazolyl)methylamino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[(3-cyclopentyl-1-phenylpyrazol-4-yl)methylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(1H-imidazol-5-yl)propionic acid Formula: C21H20N5O2 MolecularWeight: 374.4158

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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=CN=CN4)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=CN=CN4)C(=O)O

InChI

InChI=1S/C21H20N5O2/c27-21(28)19(10-17-12-22-14-24-17)23-11-16-13-26(18-8-2-1-3-9-18)25-20(16)15-6-4-5-7-15/h1-9,12-14,19,23H,10-11H2,(H,22,24)(H,27,28)/t19-/m0/s1