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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C29H35N5O4S2 MolecularWeight: 581.7493

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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-])CC5=CC=CS5

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CC=CS3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

InChI

InChI=1S/C29H35N5O4S2/c30-21-7-9-22(10-8-21)31-28(35)26-17-24(13-14-33(26)29(36)27-4-2-16-40-27)32(19-25-3-1-15-39-25)18-20-5-11-23(12-6-20)34(37)38/h1-6,11-12,15-16,21-22,24,26H,7-10,13-14,17-19,30H2,(H,31,35)/t21?,22?,24?,26-/m1/s1