2-[[1-(dodecanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-(dodecanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-(dodecanoylamino)-2-hydroxy-2-oxo-ethyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-hydroxy-2-oxo-1-(1-oxododecylamino)ethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-(dodecanoylamino)-2-hydroxy-2-oxoethyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-hydroxy-2-keto-1-(lauroylamino)ethyl]amino]-4-(methylthio)butyric acid Formula: C19H36N2O5S MolecularWeight: 404.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(C(=O)O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(C(=O)O)NC(CCSC)C(=O)O

InChI

InChI=1S/C19H36N2O5S/c1-3-4-5-6-7-8-9-10-11-12-16(22)21-17(19(25)26)20-15(18(23)24)13-14-27-2/h15,17,20H,3-14H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)