(2R)-N-(2-azanylethyl)-4-[2-methylpropyl(phenethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[2-methylpropyl(phenethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[isobutyl(phenethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[2-methylpropyl(phenethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[2-methylpropyl(phenethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[isobutyl(phenethyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC1=CC=CC=C1)C2CCN(C(C2)C(=O)NCCN)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CN(CCC1=CC=CC=C1)C2CCN([C@H](C2)C(=O)NCCN)C(=O)C3=CC=CS3

InChI

InChI=1S/C25H36N4O2S/c1-19(2)18-28(14-10-20-7-4-3-5-8-20)21-11-15-29(25(31)23-9-6-16-32-23)22(17-21)24(30)27-13-12-26/h3-9,16,19,21-22H,10-15,17-18,26H2,1-2H3,(H,27,30)/t21?,22-/m1/s1