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

Systemtic Name: N-butyl-2-methyl-4-[3-methyl-2-(octanoylamino)pentanoyl]piperazine-1-carboxamide Openeye Name: N-butyl-2-methyl-4-[3-methyl-2-(octanoylamino)pentanoyl]piperazine-1-carboxamide CAS Name: N-butyl-2-methyl-4-[3-methyl-1-oxo-2-(1-oxooctylamino)pentyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-2-methyl-4-[3-methyl-2-(octanoylamino)pentanoyl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[2-(caprylylamino)-3-methyl-pentanoyl]-2-methyl-piperazine-1-carboxamide Formula: C24H46N4O3 MolecularWeight: 438.64704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C(C)CC)C(=O)N1CCN(C(C1)C)C(=O)NCCCC

Isomeric SMILES

CCCCCCCC(=O)NC(C(C)CC)C(=O)N1CCN(C(C1)C)C(=O)NCCCC

InChI

InChI=1S/C24H46N4O3/c1-6-9-11-12-13-14-21(29)26-22(19(4)8-3)23(30)27-16-17-28(20(5)18-27)24(31)25-15-10-7-2/h19-20,22H,6-18H2,1-5H3,(H,25,31)(H,26,29)