4-oxidanylidene-4-[[(2S,3R,4R,5S,6R)-2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[(2S,3R,4R,5S,6R)-2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]amino]butanoic acid Openeye Name: 4-oxo-4-[[(2S,3R,4R,5S,6R)-2,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-3-yl]amino]butanoic acid CAS Name: 4-oxo-4-[[(2S,3R,4R,5S,6R)-2,4,5-triacetyloxy-6-(acetyloxymethyl)-3-oxanyl]amino]butanoic acid IUPAC Name: 4-oxo-4-[[(2S,3R,4R,5S,6R)-2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]amino]butanoic acid Traditional Name: 4-keto-4-[[(2S,3R,4R,5S,6R)-2,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-3-yl]amino]butyric acid Formula: C18H25NO12 MolecularWeight: 447.3906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)CCC(=O)O)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CCC(=O)O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H25NO12/c1-8(20)27-7-12-16(28-9(2)21)17(29-10(3)22)15(18(31-12)30-11(4)23)19-13(24)5-6-14(25)26/h12,15-18H,5-7H2,1-4H3,(H,19,24)(H,25,26)/t12-,15-,16-,17-,18-/m1/s1