iron(2+); methyl (2R)-3-cyclopentyl-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: iron(2+); methyl (2R)-3-cyclopentyl-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: ferrous methyl (2R)-2-(tert-butoxycarbonylamino)-3-cyclopentyl-3-methyl-butanoate CAS Name: (2R)-3-cyclopentyl-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester; iron(2+) IUPAC Name: iron(2+); methyl (2R)-3-cyclopentyl-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: ferrous (2R)-2-(tert-butoxycarbonylamino)-3-cyclopentyl-3-methyl-butyric acid methyl ester Formula: C32H48FeN2O8+2 MolecularWeight: 644.57712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H24NO4.Fe/c2*1-15(2,3)21-14(19)17-12(13(18)20-6)16(4,5)11-9-7-8-10-11;/h2*7-10,12H,1-6H3,(H,17,19);/q;;+2/t2*12-;/m00./s1