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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorobenzyl)-phenethyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C32H39FN4O2S MolecularWeight: 562.741063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CCN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C32H39FN4O2S/c33-25-10-8-24(9-11-25)22-36(18-16-23-5-2-1-3-6-23)28-17-19-37(32(39)30-7-4-20-40-30)29(21-28)31(38)35-27-14-12-26(34)13-15-27/h1-11,20,26-29H,12-19,21-22,34H2,(H,35,38)/t26?,27?,28?,29-/m1/s1