(2R)-N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[(4-methylphenyl)-oxomethyl]-4-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[(5-methylthiophen-2-yl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-1-p-toluoyl-pipecolinamide Formula: C34H44N4O2S MolecularWeight: 572.80376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(S5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(S5)C

InChI

InChI=1S/C34H44N4O2S/c1-24-8-11-27(12-9-24)34(40)38-21-19-30(22-32(38)33(39)36-29-15-13-28(35)14-16-29)37(23-31-17-10-25(2)41-31)20-18-26-6-4-3-5-7-26/h3-12,17,28-30,32H,13-16,18-23,35H2,1-2H3,(H,36,39)/t28?,29?,30?,32-/m1/s1