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2-(hexadecanoylamino)-3-octadecylsulfanyl-propanoic acid

2-(hexadecanoylamino)-3-octadecylsulfanyl-propanoic acid

Systemtic Name:2-(hexadecanoylamino)-3-octadecylsulfanyl-propanoic acid
Openeye Name:2-(hexadecanoylamino)-3-octadecylsulfanyl-propanoic acid
CAS Name:3-(octadecylthio)-2-(1-oxohexadecylamino)propanoic acid
IUPAC Name:2-(hexadecanoylamino)-3-octadecylsulfanylpropanoic acid
Traditional Name:2-palmitamido-3-(stearylthio)propionic acid
Formula: C37H73NO3S
MolecularWeight: 612.04542
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC


InChI

InChI=1S/C37H73NO3S/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-42-34-35(37(40)41)38-36(39)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H,38,39)(H,40,41)


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