(2S,3R,4S,5R,6R)-5-{[(2S,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methyl-5-({(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)carbamoyl]tetrahydro- 2H-pyran-2-yl}oxy)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4-(carbamoyloxy)-6-({[(2R)-2-carboxy-2-{[(2E,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-2,6,1 3,17-nonadecatetraen-1-yl]oxy}ethoxy](hydroxy)phosphoryl}oxy)-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

More details:

• Systematic name

  (2S,3R,4S,5R,6R)-5-{[(2S,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methyl-5-({(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)carbamoyl]tetrahydro- 2H-pyran-2-yl}oxy)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4-(carbamoyloxy)-6-({[(2R)-2-carboxy-2-{[(2E,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-2,6,1 3,17-nonadecatetraen-1-yl]oxy}ethoxy](hydroxy)phosphoryl}oxy)-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

• SMILES

  C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]([C@H](O[C@@H]3OP(=O)(O)OC[C@H](C(=O)O)OC/C=C(\C)/CC/C=C/C(C)(C)CCC(=C)C/C=C(\C)/CCC=C(C)C)C(=O)O)O)OC(=O)N)CO)NC(=O)C)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C(=O)NC5=C(CCC5=O)O)O)O)O

• Std. InChi

  InChI=1S/C62H95N4O30P/c1-28(2)14-13-16-29(3)17-18-31(5)21-24-62(9,10)23-12-11-15-30(4)22-25-86-38(55(79)80)27-87-97(84,85)96-60-53(50(95-61(63)83)47(77)52(93-60)56(81)82)94-58-41(65-34(8)69)43(73)49(37(26-67)89-58)91-57-40(64-33(7)68)42(72)48(32(6)88-57)90-59-46(76)44(74)45(75)51(92-59)54(78)66-39-35(70)19-20-36(39)71/h12,14,17,22-23,32,37-38,40-53,57-60,67,70,72-77H,5,11,13,15-16,18-21,24-27H2,1-4,6-10H3,(H2,63,83)(H,64,68)(H,65,69)(H,66,78)(H,79,80)(H,81,82)(H,84,85)/b23-12+,29-17+,30-22+/t32-,37-,38-,40-,41-,42-,43-,44+,45-,46-,47-,48-,49-,50+,51+,52+,53-,57+,58+,59-,60-/m1/s1

• Std. InChIKey

  ZEZYCFPDLMTORO-DKZCLELOSA-N

• Cite this record

  CSID:34984534, http://www.chemspider.com/Chemical-Structure.34984534.html (accessed 04:14, May 29, 2024)