(2R)-N-(4-azanylcyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-1-nicotinoyl-pipecolinamide Formula: C32H41N5O2S MolecularWeight: 559.76524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C32H41N5O2S/c1-23-9-14-29(40-23)22-36(18-15-24-6-3-2-4-7-24)28-16-19-37(32(39)25-8-5-17-34-21-25)30(20-28)31(38)35-27-12-10-26(33)11-13-27/h2-9,14,17,21,26-28,30H,10-13,15-16,18-20,22,33H2,1H3,(H,35,38)/t26?,27?,28?,30-/m1/s1