N-cyclohexyl-4-[3-methyl-2-(octanoylamino)pentanoyl]piperazine-1-carboxamide

Systemtic Name: N-cyclohexyl-4-[3-methyl-2-(octanoylamino)pentanoyl]piperazine-1-carboxamide Openeye Name: N-cyclohexyl-4-[3-methyl-2-(octanoylamino)pentanoyl]piperazine-1-carboxamide CAS Name: N-cyclohexyl-4-[3-methyl-1-oxo-2-(1-oxooctylamino)pentyl]-1-piperazinecarboxamide IUPAC Name: N-cyclohexyl-4-[3-methyl-2-(octanoylamino)pentanoyl]piperazine-1-carboxamide Traditional Name: 4-[2-(caprylylamino)-3-methyl-pentanoyl]-N-cyclohexyl-piperazine-1-carboxamide Formula: C25H46N4O3 MolecularWeight: 450.65774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C(C)CC)C(=O)N1CCN(CC1)C(=O)NC2CCCCC2

Isomeric SMILES

CCCCCCCC(=O)NC(C(C)CC)C(=O)N1CCN(CC1)C(=O)NC2CCCCC2

InChI

InChI=1S/C25H46N4O3/c1-4-6-7-8-12-15-22(30)27-23(20(3)5-2)24(31)28-16-18-29(19-17-28)25(32)26-21-13-10-9-11-14-21/h20-21,23H,4-19H2,1-3H3,(H,26,32)(H,27,30)