iron(2+); methyl (2R)-3-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: iron(2+); methyl (2R)-3-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: ferrous methyl (2R)-2-(tert-butoxycarbonylamino)-3-(3-cyclopentyl-3-oxo-propyl)sulfanyl-propanoate CAS Name: (2R)-3-[(3-cyclopentyl-3-oxopropyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester; iron(2+) IUPAC Name: iron(2+); methyl (2R)-3-(3-cyclopentyl-3-oxopropyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: ferrous (2R)-2-(tert-butoxycarbonylamino)-3-[(3-cyclopentyl-3-keto-propyl)thio]propionic acid methyl ester Formula: C34H48FeN2O10S2+2 MolecularWeight: 764.72732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H24NO5S.Fe/c2*1-17(2,3)23-16(21)18-13(15(20)22-4)11-24-10-9-14(19)12-7-5-6-8-12;/h2*5-8,13H,9-11H2,1-4H3,(H,18,21);/q;;+2/t2*13-;/m00./s1