(2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C22H24N2O9 MolecularWeight: 460.43396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C)OC3C(C(C(C(O3)C(=O)O)O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

InChI

InChI=1S/C22H24N2O9/c1-10(25)23-14-6-3-12(4-7-14)13-5-8-15(24-11(2)26)16(9-13)32-22-19(29)17(27)18(28)20(33-22)21(30)31/h3-9,17-20,22,27-29H,1-2H3,(H,23,25)(H,24,26)(H,30,31)/t17-,18-,19+,20-,22+/m0/s1