cyclopentane; iron(2+); methyl (2S)-2-[2-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: cyclopentane; iron(2+); methyl (2S)-2-[2-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: ferrous; cyclopentane; methyl (2S)-2-[[2-(3-cyclopentyl-3-oxo-propyl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: cyclopentane; (2S)-2-[[2-[(3-cyclopentyl-3-oxopropyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); methyl (2S)-2-[[2-(3-cyclopentyl-3-oxopropyl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: ferrous; cyclopentane; (2S)-2-[[2-[(3-cyclopentyl-3-keto-propyl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H27FeNO4S+2 MolecularWeight: 493.39618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSCCC(=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSCCC(=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C20H22NO4S.C5H5.Fe/c1-25-20(24)17(13-15-7-3-2-4-8-15)21-19(23)14-26-12-11-18(22)16-9-5-6-10-16;1-2-4-5-3-1;/h2-10,17H,11-14H2,1H3,(H,21,23);1-5H;/q;;+2/t17-;;/m0../s1