2-(hexadecanoylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(hexadecanoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(hexadecanoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-(1-oxohexadecylamino)butanoic acid IUPAC Name: 2-(hexadecanoylamino)-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-palmitamido-butyric acid Formula: C21H41NO3S MolecularWeight: 387.62014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18-26-2/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)