[2-azanyloxy-6-(hydroxymethyl)-2-[2-(5-phenylpentanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 5-phenylpentanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-2-[2-(5-phenylpentanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 5-phenylpentanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(5-phenylpentanoyloxy)tetradecanoyl]-5-sulfooxy-tetrahydropyran-4-yl] 5-phenylpentanoate CAS Name: 5-phenylpentanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxo-5-phenylpentoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(5-phenylpentanoyloxy)tetradecanoyl]-5-sulfooxyoxan-4-yl] 5-phenylpentanoate Traditional Name: 5-phenylvaleric acid [2-aminooxy-6-methylol-2-[2-(5-phenylpentanoyloxy)tetradecanoyl]-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C42H63NO12S MolecularWeight: 806.01412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCC2=CC=CC=C2)ON)OC(=O)CCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCC2=CC=CC=C2)ON)OC(=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C42H63NO12S/c1-2-3-4-5-6-7-8-9-10-17-28-35(51-38(45)29-20-18-26-33-22-13-11-14-23-33)41(47)42(55-43)31-36(40(37(32-44)53-42)54-56(48,49)50)52-39(46)30-21-19-27-34-24-15-12-16-25-34/h11-16,22-25,35-37,40,44H,2-10,17-21,26-32,43H2,1H3,(H,48,49,50)