[2-azanyloxy-6-(hydroxymethyl)-3-oxidanyl-2-(14-pentanoyloxytetradecanoyl)-5-sulfooxy-oxan-4-yl] 5-(4-pentylphenyl)pentanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-3-oxidanyl-2-(14-pentanoyloxytetradecanoyl)-5-sulfooxy-oxan-4-yl] 5-(4-pentylphenyl)pentanoate Openeye Name: [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-2-(14-pentanoyloxytetradecanoyl)-5-sulfooxy-tetrahydropyran-4-yl] 5-(4-pentylphenyl)pentanoate CAS Name: 5-(4-pentylphenyl)pentanoic acid [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-2-[1-oxo-14-(1-oxopentoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-2-(14-pentanoyloxytetradecanoyl)-5-sulfooxyoxan-4-yl] 5-(4-pentylphenyl)pentanoate Traditional Name: 5-(4-amylphenyl)valeric acid [2-aminooxy-3-hydroxy-6-methylol-5-sulfoxy-2-(14-valeryloxytetradecanoyl)tetrahydropyran-4-yl] ester Formula: C41H69NO13S MolecularWeight: 816.05046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CCCCC(=O)OC2C(C(OC(C2O)(C(=O)CCCCCCCCCCCCCOC(=O)CCCC)ON)CO)OS(=O)(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CCCCC(=O)OC2C(C(OC(C2O)(C(=O)CCCCCCCCCCCCCOC(=O)CCCC)ON)CO)OS(=O)(=O)O

InChI

InChI=1S/C41H69NO13S/c1-3-5-16-21-32-26-28-33(29-27-32)22-18-19-25-37(46)52-39-38(54-56(48,49)50)34(31-43)53-41(55-42,40(39)47)35(44)23-17-14-12-10-8-7-9-11-13-15-20-30-51-36(45)24-6-4-2/h26-29,34,38-40,43,47H,3-25,30-31,42H2,1-2H3,(H,48,49,50)