4-[1,3-bis[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1,3-bis[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[[(E)-octadec-9-enoyl]amino]-1-[[[(E)-octadec-9-enoyl]amino]methyl]ethoxy]-4-oxo-butanoic acid CAS Name: 4-[1,3-bis[[(E)-1-oxooctadec-9-enyl]amino]propan-2-yloxy]-4-oxobutanoic acid IUPAC Name: 4-[1,3-bis[[(E)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-[[(E)-octadec-9-enoyl]amino]-1-[[[(E)-octadec-9-enoyl]amino]methyl]ethoxy]butyric acid Formula: C43H78N2O6 MolecularWeight: 719.08922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC(OC(=O)CCC(=O)O)CNC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C43H78N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(46)44-37-39(51-43(50)36-35-42(48)49)38-45-41(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38H2,1-2H3,(H,44,46)(H,45,47)(H,48,49)/b19-17+,20-18+