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

Systemtic Name: cyclopentane; (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-4-methylsulfanyl-butanoic acid; iron(2+) Openeye Name: ferrous; cyclopentane; (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: cyclopentane; (2S)-2-[(3-cyclopentyl-1-phenyl-4-pyrazolyl)methylamino]-4-(methylthio)butanoic acid; iron(2+) IUPAC Name: cyclopentane; (2S)-2-[(3-cyclopentyl-1-phenylpyrazol-4-yl)methylamino]-4-methylsulfanylbutanoic acid; iron(2+) Traditional Name: ferrous; cyclopentane; (2S)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-4-(methylthio)butyric acid Formula: C25H27FeN3O2S+2 MolecularWeight: 489.41078

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

Isomeric SMILES

CSCC[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/C20H22N3O2S.C5H5.Fe/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;1-2-4-5-3-1;/h2-10,14,18,21H,11-13H2,1H3,(H,24,25);1-5H;/q;;+2/t18-;;/m0../s1