(2S,4S,5R,6R)-5-acetamido-6-[(S)-[(2S,3R,4R,6S,10R)-3-acetamido-4-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxy-1,3-bis(oxidanyl)propyl]-2-oxidanyl-7-oxidanylidene-5,8,11-trioxaspiro[5.5]undecan-10-yl]-oxidanyl-methyl]-2,4-bis(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-6-[(S)-[(2S,3R,4R,6S,10R)-3-acetamido-4-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxy-1,3-bis(oxidanyl)propyl]-2-oxidanyl-7-oxidanylidene-5,8,11-trioxaspiro[5.5]undecan-10-yl]-oxidanyl-methyl]-2,4-bis(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-acetamido-6-[(S)-[(2S,3R,4R,6S,10R)-3-acetamido-4-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]oxy-1,3-dihydroxy-propyl]-2-hydroxy-7-oxo-5,8,11-trioxaspiro[5.5]undecan-10-yl]-hydroxy-methyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-acetamido-6-[(S)-[(2S,3R,4R,6S,10R)-3-acetamido-4-[(1S,2R)-2-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanyl]oxy]-1,3-dihydroxypropyl]-2-hydroxy-7-oxo-5,8,11-trioxaspiro[5.5]undecan-10-yl]-hydroxymethyl]-2,4-dihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-acetamido-6-[(S)-[(2S,3R,4R,6S,10R)-3-acetamido-4-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-hydroxy-7-oxo-5,8,11-trioxaspiro[5.5]undecan-10-yl]-hydroxymethyl]-2,4-dihydroxyoxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-acetamido-6-[(S)-[(2S,3R,4R,6S,10R)-3-acetamido-4-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]oxy-1,3-dihydroxy-propyl]-2-hydroxy-7-keto-5,8,11-trioxaspiro[5.5]undecan-10-yl]-hydroxy-methyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid Formula: C33H51N3O24 MolecularWeight: 873.76374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC2(C(=O)OCC(O2)C(C3C(C(CC(O3)(C(=O)O)O)O)NC(=O)C)O)OC1C(C(CO)OC4(CC(C(C(O4)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@]2(C(=O)OC[C@@H](O2)[C@H]([C@H]3[C@@H]([C@H](C[C@](O3)(C(=O)O)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O

InChI

InChI=1S/C33H51N3O24/c1-10(39)34-19-13(42)4-31(54,28(49)50)58-26(19)24(48)18-9-55-30(53)33(57-18)6-15(44)21(36-12(3)41)27(60-33)23(47)17(8-38)56-32(29(51)52)5-14(43)20(35-11(2)40)25(59-32)22(46)16(45)7-37/h13-27,37-38,42-48,54H,4-9H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,49,50)(H,51,52)/t13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,31-,32+,33+/m0/s1