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3-dodecylsulfanyl-2-(hexadecanoylamino)propanoic acid

3-dodecylsulfanyl-2-(hexadecanoylamino)propanoic acid

Systemtic Name:3-dodecylsulfanyl-2-(hexadecanoylamino)propanoic acid
Openeye Name:3-dodecylsulfanyl-2-(hexadecanoylamino)propanoic acid
CAS Name:3-(dodecylthio)-2-(1-oxohexadecylamino)propanoic acid
IUPAC Name:3-dodecylsulfanyl-2-(hexadecanoylamino)propanoic acid
Traditional Name:3-(laurylthio)-2-palmitamido-propionic acid
Formula: C31H61NO3S
MolecularWeight: 527.88594
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CSCCCCCCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CSCCCCCCCCCCCC)C(=O)O


InChI

InChI=1S/C31H61NO3S/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-30(33)32-29(31(34)35)28-36-27-25-23-21-19-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H,32,33)(H,34,35)


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