iron(2+); (phenylmethyl) (2S)-3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: iron(2+); (phenylmethyl) (2S)-3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: ferrous benzyl (2S)-2-(tert-butoxycarbonylamino)-3-cyclopentyl-propanoate CAS Name: (2S)-3-cyclopentyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester; iron(2+) IUPAC Name: benzyl (2S)-3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate; iron(2+) Traditional Name: ferrous (2S)-2-(tert-butoxycarbonylamino)-3-cyclopentyl-propionic acid benzyl ester Formula: C40H48FeN2O8+2 MolecularWeight: 740.66272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C[C]1[CH][CH][CH][CH]1)C(=O)OCC2=CC=CC=C2.CC(C)(C)OC(=O)NC(C[C]1[CH][CH][CH][CH]1)C(=O)OCC2=CC=CC=C2.[Fe+2]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C[C]1[CH][CH][CH][CH]1)C(=O)OCC2=CC=CC=C2.CC(C)(C)OC(=O)N[C@@H](C[C]1[CH][CH][CH][CH]1)C(=O)OCC2=CC=CC=C2.[Fe+2]

InChI

InChI=1S/2C20H24NO4.Fe/c2*1-20(2,3)25-19(23)21-17(13-15-9-7-8-10-15)18(22)24-14-16-11-5-4-6-12-16;/h2*4-12,17H,13-14H2,1-3H3,(H,21,23);/q;;+2/t2*17-;/m00./s1