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

Systemtic Name: iron(2+); methyl (2S)-2-[2-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanylethanoylamino]-3-oxidanyl-propanoate Openeye Name: ferrous methyl (2S)-2-[[2-(3-cyclopentyl-3-oxo-propyl)sulfanylacetyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[2-[(3-cyclopentyl-3-oxopropyl)thio]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester; iron(2+) IUPAC Name: iron(2+); methyl (2S)-2-[[2-(3-cyclopentyl-3-oxopropyl)sulfanylacetyl]amino]-3-hydroxypropanoate Traditional Name: ferrous (2S)-2-[[2-[(3-cyclopentyl-3-keto-propyl)thio]acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C28H36FeN2O10S2+2 MolecularWeight: 680.56784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H18NO5S.Fe/c2*1-20-14(19)11(8-16)15-13(18)9-21-7-6-12(17)10-4-2-3-5-10;/h2*2-5,11,16H,6-9H2,1H3,(H,15,18);/q;;+2/t2*11-;/m00./s1