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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pipecolinamide Formula: C31H41N5O4 MolecularWeight: 547.68834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H41N5O4/c32-25-10-12-26(13-11-25)33-30(37)29-20-28(17-19-35(29)31(38)24-8-9-24)34(18-16-22-4-2-1-3-5-22)21-23-6-14-27(15-7-23)36(39)40/h1-7,14-15,24-26,28-29H,8-13,16-21,32H2,(H,33,37)/t25?,26?,28?,29-/m1/s1