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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[2-methylpropyl-(phenylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(isobutyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[2-methylpropyl-(phenylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(isobutyl)amino]-1-(cyclopropanecarbonyl)pipecolinamide Formula: C27H42N4O2 MolecularWeight: 454.64798

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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)C4CC4

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1)C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4CC4

InChI

InChI=1S/C27H42N4O2/c1-19(2)17-30(18-20-6-4-3-5-7-20)24-14-15-31(27(33)21-8-9-21)25(16-24)26(32)29-23-12-10-22(28)11-13-23/h3-7,19,21-25H,8-18,28H2,1-2H3,(H,29,32)/t22?,23?,24?,25-/m1/s1