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

Systemtic Name: (2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[2-methylpropyl(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[isobutyl(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-4-[2-methylpropyl(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropyl(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[isobutyl(2-thenyl)amino]pipecolinamide Formula: C21H34N4O2S MolecularWeight: 406.58526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CS1)C2CCN(C(C2)C(=O)NCCN)C(=O)C3CC3

Isomeric SMILES

CC(C)CN(CC1=CC=CS1)C2CCN([C@H](C2)C(=O)NCCN)C(=O)C3CC3

InChI

InChI=1S/C21H34N4O2S/c1-15(2)13-24(14-18-4-3-11-28-18)17-7-10-25(21(27)16-5-6-16)19(12-17)20(26)23-9-8-22/h3-4,11,15-17,19H,5-10,12-14,22H2,1-2H3,(H,23,26)/t17?,19-/m1/s1