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

Systemtic Name: N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C27H35N5O4S MolecularWeight: 525.6629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

Isomeric SMILES

C1CC1C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

InChI

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