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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]pipecolinamide Formula: C28H37N5O4S MolecularWeight: 539.68948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

InChI

InChI=1S/C28H37N5O4S/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/h1-4,11-12,15,20-22,24,26H,5-10,13-14,16-18,29H2,(H,30,34)/t21?,22?,24?,26-/m1/s1