(2R,3R,4S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R)-2-acetamido-1,4,5,6-tetrakis(oxidanyl)hexan-3-yl]oxy-2-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxy-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: (2R,3R,4S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R)-2-acetamido-1,4,5,6-tetrakis(oxidanyl)hexan-3-yl]oxy-2-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxy-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,3R,4S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(1R,2R,3R)-1-[(1S)-1-acetamido-2-hydroxy-ethyl]-2,3,4-trihydroxy-butoxy]-2-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2R,3R,4S)-2-[[(2S,3R,4R,5S,6R)-3-acetamido-2-[[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-2-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,3R,4S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,3R,4S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(1R,2R,3R)-1-[(1S)-1-acetamido-2-hydroxy-ethyl]-2,3,4-trihydroxy-butoxy]-2-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C28H44N2O22 MolecularWeight: 760.64916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2C(C(C(OC2C(=O)O)OC(C(CO)NC(=O)C)C(C(CO)O)O)O)O)CO)O)OC3C(C(C=C(O3)C(=O)O)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@H]([C@H](CO)NC(=O)C)[C@@H]([C@@H](CO)O)O)O)O)CO)O)O[C@H]3[C@@H]([C@H](C=C(O3)C(=O)O)O)O

InChI

InChI=1S/C28H44N2O22/c1-7(34)29-9(4-31)20(15(38)11(37)5-32)49-28-19(42)18(41)22(23(52-28)25(45)46)51-26-14(30-8(2)35)21(17(40)13(6-33)48-26)50-27-16(39)10(36)3-12(47-27)24(43)44/h3,9-11,13-23,26-28,31-33,36-42H,4-6H2,1-2H3,(H,29,34)(H,30,35)(H,43,44)(H,45,46)/t9-,10-,11+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,26-,27-,28+/m0/s1