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

Systemtic Name: iron(2+); methyl (2S)-2-[2-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanylethanoylamino]-3-methyl-butanoate Openeye Name: ferrous methyl (2S)-2-[[2-(3-cyclopentyl-3-oxo-propyl)sulfanylacetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[(3-cyclopentyl-3-oxopropyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester; iron(2+) IUPAC Name: iron(2+); methyl (2S)-2-[[2-(3-cyclopentyl-3-oxopropyl)sulfanylacetyl]amino]-3-methylbutanoate Traditional Name: ferrous (2S)-2-[[2-[(3-cyclopentyl-3-keto-propyl)thio]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C32H44FeN2O8S2+2 MolecularWeight: 704.67536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C16H22NO4S.Fe/c2*1-11(2)15(16(20)21-3)17-14(19)10-22-9-8-13(18)12-6-4-5-7-12;/h2*4-7,11,15H,8-10H2,1-3H3,(H,17,19);/q;;+2/t2*15-;/m00./s1