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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[isobutyl-(4-nitrobenzyl)amino]pipecolinamide Formula: C27H41N5O4 MolecularWeight: 499.64554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4CC4

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4CC4

InChI

InChI=1S/C27H41N5O4/c1-18(2)16-30(17-19-3-11-23(12-4-19)32(35)36)24-13-14-31(27(34)20-5-6-20)25(15-24)26(33)29-22-9-7-21(28)8-10-22/h3-4,11-12,18,20-22,24-25H,5-10,13-17,28H2,1-2H3,(H,29,33)/t21?,22?,24?,25-/m1/s1