iron(2+); methyl (2S)-2-(cyclopentylcarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: iron(2+); methyl (2S)-2-(cyclopentylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: ferrous methyl (2S)-2-(cyclopentanecarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[cyclopentyl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester; iron(2+) IUPAC Name: iron(2+); methyl (2S)-2-(cyclopentanecarbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: ferrous (2S)-2-(cyclopentanecarbonylamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C36H34FeN4O6+2 MolecularWeight: 674.52336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)[C]3[CH][CH][CH][CH]3.COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)[C]3[CH][CH][CH][CH]3.[Fe+2]

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C]3[CH][CH][CH][CH]3.COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C]3[CH][CH][CH][CH]3.[Fe+2]

InChI

InChI=1S/2C18H17N2O3.Fe/c2*1-23-18(22)16(20-17(21)12-6-2-3-7-12)10-13-11-19-15-9-5-4-8-14(13)15;/h2*2-9,11,16,19H,10H2,1H3,(H,20,21);/q;;+2/t2*16-;/m00./s1