6-(15-methylhexadecanoylamino)oxy-5-[(15-methyl-3-oxidanyl-hexadecanoyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(15-methylhexadecanoylamino)oxy-5-[(15-methyl-3-oxidanyl-hexadecanoyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 5-[(3-hydroxy-15-methyl-hexadecanoyl)amino]-6-(15-methylhexadecanoylamino)oxy-6-oxo-hexanoic acid CAS Name: 5-[(3-hydroxy-15-methyl-1-oxohexadecyl)amino]-6-[(15-methyl-1-oxohexadecyl)amino]oxy-6-oxohexanoic acid IUPAC Name: 5-[(3-hydroxy-15-methylhexadecanoyl)amino]-6-(15-methylhexadecanoylamino)oxy-6-oxohexanoic acid Traditional Name: 5-[(3-hydroxy-15-methyl-hexadecanoyl)amino]-6-keto-6-(15-methylhexadecanoylamino)oxy-hexanoic acid Formula: C40H76N2O7 MolecularWeight: 697.04064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC(=O)NOC(=O)C(CCCC(=O)O)NC(=O)CC(CCCCCCCCCCCC(C)C)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCC(=O)NOC(=O)C(CCCC(=O)O)NC(=O)CC(CCCCCCCCCCCC(C)C)O

InChI

InChI=1S/C40H76N2O7/c1-33(2)26-21-17-13-9-6-5-7-12-16-20-24-30-37(44)42-49-40(48)36(29-25-31-39(46)47)41-38(45)32-35(43)28-23-19-15-11-8-10-14-18-22-27-34(3)4/h33-36,43H,5-32H2,1-4H3,(H,41,45)(H,42,44)(H,46,47)