(2R)-N-(4-azanylcyclohexyl)-4-[2-methylpropyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[2-methylpropyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(isobutyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methylpropyl-(phenylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(isobutyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C28H40N4O2S MolecularWeight: 496.7078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1)C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1)C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H40N4O2S/c1-20(2)18-31(19-21-7-4-3-5-8-21)24-14-15-32(28(34)26-9-6-16-35-26)25(17-24)27(33)30-23-12-10-22(29)11-13-23/h3-9,16,20,22-25H,10-15,17-19,29H2,1-2H3,(H,30,33)/t22?,23?,24?,25-/m1/s1