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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-(2-methoxyethanoyl)-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-(2-methoxy-1-oxoethyl)-4-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(5-methylthiophen-2-yl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]pipecolinamide Formula: C29H42N4O3S MolecularWeight: 526.73378

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4O3S/c1-21-8-13-26(37-21)19-32(16-14-22-6-4-3-5-7-22)25-15-17-33(28(34)20-36-2)27(18-25)29(35)31-24-11-9-23(30)10-12-24/h3-8,13,23-25,27H,9-12,14-20,30H2,1-2H3,(H,31,35)/t23?,24?,25?,27-/m1/s1