4-[1-(16-methylheptadecanoylamino)propoxy]-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(16-methylheptadecanoylamino)propoxy]-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-hydroxy-4-[1-(16-methylheptadecanoylamino)propoxy]-4-oxo-butanoic acid CAS Name: 3-hydroxy-4-[1-[(16-methyl-1-oxoheptadecyl)amino]propoxy]-4-oxobutanoic acid IUPAC Name: 3-hydroxy-4-[1-(16-methylheptadecanoylamino)propoxy]-4-oxobutanoic acid Traditional Name: 3-hydroxy-4-keto-4-[1-(16-methylheptadecanoylamino)propoxy]butyric acid Formula: C25H47NO6 MolecularWeight: 457.64378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)C(CC(=O)O)O

Isomeric SMILES

CCC(NC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)C(CC(=O)O)O

InChI

InChI=1S/C25H47NO6/c1-4-23(32-25(31)21(27)19-24(29)30)26-22(28)18-16-14-12-10-8-6-5-7-9-11-13-15-17-20(2)3/h20-21,23,27H,4-19H2,1-3H3,(H,26,28)(H,29,30)