(2S,3R)-5-methyl-2-propyl-3-[4-[2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]carbonyl-hexanamide

Systemtic Name: (2S,3R)-5-methyl-2-propyl-3-[4-[2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]carbonyl-hexanamide Openeye Name: (2S,3R)-5-methyl-2-propyl-3-[4-[2-(2-pyridylmethylamino)ethyl]piperazine-1-carbonyl]hexanamide CAS Name: (2S,3R)-5-methyl-3-[oxo-[4-[2-(2-pyridinylmethylamino)ethyl]-1-piperazinyl]methyl]-2-propylhexanamide IUPAC Name: (2S,3R)-5-methyl-2-propyl-3-[4-[2-(pyridin-2-ylmethylamino)ethyl]piperazine-1-carbonyl]hexanamide Traditional Name: (2S,3R)-5-methyl-2-propyl-3-[4-[2-(2-pyridylmethylamino)ethyl]piperazine-1-carbonyl]hexanamide Formula: C23H39N5O2 MolecularWeight: 417.58806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(CC1)CCNCC2=CC=CC=N2)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(CC1)CCNCC2=CC=CC=N2)C(=O)N

InChI

InChI=1S/C23H39N5O2/c1-4-7-20(22(24)29)21(16-18(2)3)23(30)28-14-12-27(13-15-28)11-10-25-17-19-8-5-6-9-26-19/h5-6,8-9,18,20-21,25H,4,7,10-17H2,1-3H3,(H2,24,29)/t20-,21+/m0/s1