(2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(5-methyl-2-thienyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(5-methyl-2-thiophenyl)methyl-(2-oxolanylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(5-methyl-2-thienyl)methyl-(tetrahydrofurfuryl)amino]pipecolinamide Formula: C27H42N4O3S MolecularWeight: 502.71238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2CCCO2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5CC5

Isomeric SMILES

CC1=CC=C(S1)CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5CC5

InChI

InChI=1S/C27H42N4O3S/c1-18-4-11-24(35-18)17-30(16-23-3-2-14-34-23)22-12-13-31(27(33)19-5-6-19)25(15-22)26(32)29-21-9-7-20(28)8-10-21/h4,11,19-23,25H,2-3,5-10,12-17,28H2,1H3,(H,29,32)/t20?,21?,22?,23?,25-/m1/s1