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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[isobutyl-[(5-methyl-2-thienyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(5-methyl-2-thiophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[isobutyl-[(5-methyl-2-thienyl)methyl]amino]-1-nicotinoyl-pipecolinamide Formula: C28H41N5O2S MolecularWeight: 511.72244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC(C)C)C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(S1)CN(CC(C)C)C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C28H41N5O2S/c1-19(2)17-32(18-25-11-6-20(3)36-25)24-12-14-33(28(35)21-5-4-13-30-16-21)26(15-24)27(34)31-23-9-7-22(29)8-10-23/h4-6,11,13,16,19,22-24,26H,7-10,12,14-15,17-18,29H2,1-3H3,(H,31,34)/t22?,23?,24?,26-/m1/s1