2-(hexadecanoylamino)-3-[2-(2-hexadecoxyethoxy)ethylsulfanyl]propanoic acid

Systemtic Name: 2-(hexadecanoylamino)-3-[2-(2-hexadecoxyethoxy)ethylsulfanyl]propanoic acid Openeye Name: 2-(hexadecanoylamino)-3-[2-(2-hexadecoxyethoxy)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(2-hexadecoxyethoxy)ethylthio]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: 2-(hexadecanoylamino)-3-[2-(2-hexadecoxyethoxy)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(2-cetyloxyethoxy)ethylthio]-2-palmitamido-propionic acid Formula: C39H77NO5S MolecularWeight: 672.09738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCOCCSCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCOCCSCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C39H77NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44-32-33-45-34-35-46-36-37(39(42)43)40-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,40,41)(H,42,43)