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3-docosylsulfanyl-2-(hexadecanoylamino)propanoic acid

3-docosylsulfanyl-2-(hexadecanoylamino)propanoic acid

Systemtic Name:3-docosylsulfanyl-2-(hexadecanoylamino)propanoic acid
Openeye Name:3-docosylsulfanyl-2-(hexadecanoylamino)propanoic acid
CAS Name:3-(docosylthio)-2-(1-oxohexadecylamino)propanoic acid
IUPAC Name:3-docosylsulfanyl-2-(hexadecanoylamino)propanoic acid
Traditional Name:3-(behenylthio)-2-palmitamido-propionic acid
Formula: C41H81NO3S
MolecularWeight: 668.15174
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCSCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCSCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC


InChI

InChI=1S/C41H81NO3S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-46-38-39(41(44)45)42-40(43)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39H,3-38H2,1-2H3,(H,42,43)(H,44,45)


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