3-methyl-2-[[(E)-3-[(E)-octadec-9-enoyl]oxyicos-11-enoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[(E)-3-[(E)-octadec-9-enoyl]oxyicos-11-enoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[(E)-3-[(E)-octadec-9-enoyl]oxyicos-11-enoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[(E)-1-oxo-3-[(E)-1-oxooctadec-9-enoxy]eicos-11-enyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[(E)-3-[(E)-octadec-9-enoyl]oxyicos-11-enoyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[(E)-3-[(E)-octadec-9-enoyl]oxyeicos-11-enoyl]amino]butyric acid Formula: C43H79NO5 MolecularWeight: 690.09106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(CC(=O)NC(C(C)C)C(=O)O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(CC(=O)NC(C(C)C)C(=O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C43H79NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37-40(45)44-42(38(3)4)43(47)48)49-41(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,38-39,42H,5-18,23-37H2,1-4H3,(H,44,45)(H,47,48)/b21-19+,22-20+