[2,2-dimethyl-4-[[3-(4-octadecanoylpiperazin-1-yl)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] 2,2-dimethylpropanoate

Systemtic Name: [2,2-dimethyl-4-[[3-(4-octadecanoylpiperazin-1-yl)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] 2,2-dimethylpropanoate Openeye Name: [3-hydroxy-2,2-dimethyl-4-[[3-(4-octadecanoylpiperazin-1-yl)-3-oxo-propyl]amino]-4-oxo-butyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[4-(1-oxooctadecyl)-1-piperazinyl]propyl]amino]butyl] ester IUPAC Name: [3-hydroxy-2,2-dimethyl-4-[[3-(4-octadecanoylpiperazin-1-yl)-3-oxopropyl]amino]-4-oxobutyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-hydroxy-4-keto-4-[[3-keto-3-(4-stearoylpiperazino)propyl]amino]-2,2-dimethyl-butyl] ester Formula: C36H67N3O6 MolecularWeight: 637.93368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)CCNC(=O)C(C(C)(C)COC(=O)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)CCNC(=O)C(C(C)(C)COC(=O)C(C)(C)C)O

InChI

InChI=1S/C36H67N3O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(40)38-25-27-39(28-26-38)31(41)23-24-37-33(43)32(42)36(5,6)29-45-34(44)35(2,3)4/h32,42H,7-29H2,1-6H3,(H,37,43)