tert-butyl N-[(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]carbamate; iron(2+)

Systemtic Name: tert-butyl N-[(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]carbamate; iron(2+) Openeye Name: ferrous tert-butyl N-[(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester; iron(2+) IUPAC Name: tert-butyl N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate; iron(2+) Traditional Name: ferrous N-[(1S)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C26H38FeN4O6+2 MolecularWeight: 558.44812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H19N2O3.Fe/c2*1-9(14-12(17)18-13(2,3)4)11(16)15-10-7-5-6-8-10;/h2*5-9H,1-4H3,(H,14,17)(H,15,16);/q;;+2/t2*9-;/m00./s1