(2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-nitrophenyl)methyl-(2-oxolanylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrobenzyl)-(tetrahydrofurfuryl)amino]pipecolinamide Formula: C28H41N5O5 MolecularWeight: 527.65564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5CC5

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5CC5

InChI

InChI=1S/C28H41N5O5/c29-21-7-9-22(10-8-21)30-27(34)26-16-24(13-14-32(26)28(35)20-5-6-20)31(18-25-2-1-15-38-25)17-19-3-11-23(12-4-19)33(36)37/h3-4,11-12,20-22,24-26H,1-2,5-10,13-18,29H2,(H,30,34)/t21?,22?,24?,25?,26-/m1/s1