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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thiophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pipecolinamide Formula: C28H40N4O3S2 MolecularWeight: 544.7722

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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)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(S1)CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H40N4O3S2/c1-19-6-11-24(37-19)18-31(17-23-4-2-14-35-23)22-12-13-32(28(34)26-5-3-15-36-26)25(16-22)27(33)30-21-9-7-20(29)8-10-21/h3,5-6,11,15,20-23,25H,2,4,7-10,12-14,16-18,29H2,1H3,(H,30,33)/t20?,21?,22?,23?,25-/m1/s1