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

Systemtic Name: cyclopentane; iron(2+); methyl (2S)-2-[2-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanylethanoylamino]-3-methyl-butanoate Openeye Name: ferrous; cyclopentane; methyl (2S)-2-[[2-(3-cyclopentyl-3-oxo-propyl)sulfanylacetyl]amino]-3-methyl-butanoate CAS Name: cyclopentane; (2S)-2-[[2-[(3-cyclopentyl-3-oxopropyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); methyl (2S)-2-[[2-(3-cyclopentyl-3-oxopropyl)sulfanylacetyl]amino]-3-methylbutanoate Traditional Name: ferrous; cyclopentane; (2S)-2-[[2-[(3-cyclopentyl-3-keto-propyl)thio]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C21H27FeNO4S+2 MolecularWeight: 445.35338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22NO4S.C5H5.Fe/c1-11(2)15(16(20)21-3)17-14(19)10-22-9-8-13(18)12-6-4-5-7-12;1-2-4-5-3-1;/h4-7,11,15H,8-10H2,1-3H3,(H,17,19);1-5H;/q;;+2/t15-;;/m0../s1