(2R)-N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-(4-nitrobenzyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C27H35N5O4S MolecularWeight: 525.6629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CCN2C(=O)C3=CC=CS3)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CC=CS3)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5

InChI

InChI=1S/C27H35N5O4S/c28-19-5-7-20(8-6-19)29-26(33)24-16-23(13-14-30(24)27(34)25-2-1-15-37-25)31(21-11-12-21)17-18-3-9-22(10-4-18)32(35)36/h1-4,9-10,15,19-21,23-24H,5-8,11-14,16-17,28H2,(H,29,33)/t19?,20?,23?,24-/m1/s1