3,3-dimethyl-N-[3-(4-octadecanoylpiperazin-1-yl)-3-oxidanylidene-propyl]-2,4-bis(oxidanyl)butanamide

Systemtic Name: 3,3-dimethyl-N-[3-(4-octadecanoylpiperazin-1-yl)-3-oxidanylidene-propyl]-2,4-bis(oxidanyl)butanamide Openeye Name: 2,4-dihydroxy-3,3-dimethyl-N-[3-(4-octadecanoylpiperazin-1-yl)-3-oxo-propyl]butanamide CAS Name: 2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[4-(1-oxooctadecyl)-1-piperazinyl]propyl]butanamide IUPAC Name: 2,4-dihydroxy-3,3-dimethyl-N-[3-(4-octadecanoylpiperazin-1-yl)-3-oxopropyl]butanamide Traditional Name: 2,4-dihydroxy-N-[3-keto-3-(4-stearoylpiperazino)propyl]-3,3-dimethyl-butyramide Formula: C31H59N3O5 MolecularWeight: 553.81726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H59N3O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(36)33-22-24-34(25-23-33)28(37)20-21-32-30(39)29(38)31(2,3)26-35/h29,35,38H,4-26H2,1-3H3,(H,32,39)