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

Systemtic Name: cyclopentane; (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-methyl-butanoic acid; iron(2+) Openeye Name: ferrous; cyclopentane; (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-methyl-butanoic acid CAS Name: cyclopentane; (2S)-2-[(3-cyclopentyl-1-phenyl-4-pyrazolyl)methylamino]-3-methylbutanoic acid; iron(2+) IUPAC Name: cyclopentane; (2S)-2-[(3-cyclopentyl-1-phenylpyrazol-4-yl)methylamino]-3-methylbutanoic acid; iron(2+) Traditional Name: ferrous; cyclopentane; (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-methyl-butyric acid Formula: C25H27FeN3O2+2 MolecularWeight: 457.34578

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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.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NCC1=CN(N=C1[C]2[CH][CH][CH][CH]2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C20H22N3O2.C5H5.Fe/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;1-2-4-5-3-1;/h3-11,13-14,18,21H,12H2,1-2H3,(H,24,25);1-5H;/q;;+2/t18-;;/m0../s1