(2R)-N-(2-azanylethyl)-4-[2-methylpropyl(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[2-methylpropyl(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[isobutyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[2-methylpropyl(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[2-methylpropyl(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[isobutyl(2-thenyl)amino]-1-nicotinoyl-pipecolinamide Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CS1)C2CCN(C(C2)C(=O)NCCN)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)CN(CC1=CC=CS1)C2CCN([C@H](C2)C(=O)NCCN)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H33N5O2S/c1-17(2)15-27(16-20-6-4-12-31-20)19-7-11-28(21(13-19)22(29)26-10-8-24)23(30)18-5-3-9-25-14-18/h3-6,9,12,14,17,19,21H,7-8,10-11,13,15-16,24H2,1-2H3,(H,26,29)/t19?,21-/m1/s1