(2S,3R)-2-[[1-(dodecanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[1-(dodecanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[[1-(dodecanoylamino)-2-hydroxy-2-oxo-ethyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-3-hydroxy-2-[[2-hydroxy-2-oxo-1-(1-oxododecylamino)ethyl]amino]butanoic acid IUPAC Name: (2S,3R)-2-[[1-(dodecanoylamino)-2-hydroxy-2-oxoethyl]amino]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-3-hydroxy-2-[[2-hydroxy-2-keto-1-(lauroylamino)ethyl]amino]butyric acid Formula: C18H34N2O6 MolecularWeight: 374.47236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(C(=O)O)N[C@@H]([C@@H](C)O)C(=O)O

InChI

InChI=1S/C18H34N2O6/c1-3-4-5-6-7-8-9-10-11-12-14(22)19-16(18(25)26)20-15(13(2)21)17(23)24/h13,15-16,20-21H,3-12H2,1-2H3,(H,19,22)(H,23,24)(H,25,26)/t13-,15+,16?/m1/s1