(2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-methoxyphenyl)methyl-(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[p-anisyl(2-thenyl)amino]pipecolinamide Formula: C29H40N4O3S MolecularWeight: 524.7179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5CC5

InChI

InChI=1S/C29H40N4O3S/c1-36-25-12-4-20(5-13-25)18-32(19-26-3-2-16-37-26)24-14-15-33(29(35)21-6-7-21)27(17-24)28(34)31-23-10-8-22(30)9-11-23/h2-5,12-13,16,21-24,27H,6-11,14-15,17-19,30H2,1H3,(H,31,34)/t22?,23?,24?,27-/m1/s1