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

Systemtic Name: cyclopentane; (2R)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-methylsulfanyl-propanoic acid; iron(2+) Openeye Name: ferrous; cyclopentane; (2R)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-methylsulfanyl-propanoic acid CAS Name: cyclopentane; (2R)-2-[(3-cyclopentyl-1-phenyl-4-pyrazolyl)methylamino]-3-(methylthio)propanoic acid; iron(2+) IUPAC Name: cyclopentane; (2R)-2-[(3-cyclopentyl-1-phenylpyrazol-4-yl)methylamino]-3-methylsulfanylpropanoic acid; iron(2+) Traditional Name: ferrous; cyclopentane; (2R)-2-[(3-cyclopentyl-1-phenyl-pyrazol-4-yl)methylamino]-3-(methylthio)propionic acid Formula: C24H25FeN3O2S+2 MolecularWeight: 475.3842

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(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

CSC[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/C19H20N3O2S.C5H5.Fe/c1-25-13-17(19(23)24)20-11-15-12-22(16-9-3-2-4-10-16)21-18(15)14-7-5-6-8-14;1-2-4-5-3-1;/h2-10,12,17,20H,11,13H2,1H3,(H,23,24);1-5H;/q;;+2/t17-;;/m0../s1