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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thiophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-(tetrahydrofurfuryl)amino]-1-nicotinoyl-pipecolinamide Formula: C29H41N5O3S MolecularWeight: 539.73254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2CCCO2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(S1)CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C29H41N5O3S/c1-20-6-11-26(38-20)19-33(18-25-5-3-15-37-25)24-12-14-34(29(36)21-4-2-13-31-17-21)27(16-24)28(35)32-23-9-7-22(30)8-10-23/h2,4,6,11,13,17,22-25,27H,3,5,7-10,12,14-16,18-19,30H2,1H3,(H,32,35)/t22?,23?,24?,25?,27-/m1/s1