methyl (E)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]but-2-enoate Openeye Name: methyl (E)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]but-2-enoate CAS Name: (E)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-2-oxanyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]but-2-enoate Traditional Name: (E)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-2-yl]but-2-enoic acid methyl ester Formula: C21H34N2O12 MolecularWeight: 506.50086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(OC(C(C1O)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CO)CC=CC(=O)OC

Isomeric SMILES

CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)C/C=C/C(=O)OC

InChI

InChI=1S/C21H34N2O12/c1-9(26)22-15-11(5-4-6-14(28)32-3)33-13(8-25)20(19(15)31)35-21-16(23-10(2)27)18(30)17(29)12(7-24)34-21/h4,6,11-13,15-21,24-25,29-31H,5,7-8H2,1-3H3,(H,22,26)(H,23,27)/b6-4+/t11-,12+,13+,15-,16+,17+,18+,19+,20+,21-/m0/s1