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11-[27-dodecylsulfanylheptacosanoyl(methyl)amino]undecanoic acid

11-[27-dodecylsulfanylheptacosanoyl(methyl)amino]undecanoic acid

Systemtic Name:11-[27-dodecylsulfanylheptacosanoyl(methyl)amino]undecanoic acid
Openeye Name:11-[27-dodecylsulfanylheptacosanoyl(methyl)amino]undecanoic acid
CAS Name:11-[[27-(dodecylthio)-1-oxoheptacosyl]-methylamino]undecanoic acid
IUPAC Name:11-[27-dodecylsulfanylheptacosanoyl(methyl)amino]undecanoic acid
Traditional Name:11-[27-(laurylthio)heptacosanoyl-methyl-amino]undecanoic acid
Formula: C51H101NO3S
MolecularWeight: 808.41754
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(C)CCCCCCCCCCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(C)CCCCCCCCCCC(=O)O


InChI

InChI=1S/C51H101NO3S/c1-3-4-5-6-7-8-28-33-38-43-48-56-49-44-39-34-29-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-30-35-40-45-50(53)52(2)47-42-37-32-27-26-31-36-41-46-51(54)55/h3-49H2,1-2H3,(H,54,55)


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