(2R)-N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-4-[(5-methylthiophen-2-yl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-m-anisoyl-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]pipecolinamide Formula: C34H44N4O3S MolecularWeight: 588.80316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C34H44N4O3S/c1-24-11-16-31(42-24)23-37(19-17-25-7-4-3-5-8-25)29-18-20-38(34(40)26-9-6-10-30(21-26)41-2)32(22-29)33(39)36-28-14-12-27(35)13-15-28/h3-11,16,21,27-29,32H,12-15,17-20,22-23,35H2,1-2H3,(H,36,39)/t27?,28?,29?,32-/m1/s1