(2R,5R,8S,11R,14S)-17-{[(2R,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-({hydroxy[(hydroxy{[(2E,6E,10E,14E,18E,22E,26E,30E, 34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8-(4- aminobutyl)-11-(2-carboxyethyl)-2,5,14-trimethyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecan-1-oic acid (non-preferred name)

More details:

• Systematic name

  (2R,5R,8S,11R,14S)-17-{[(2R,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-({hydroxy[(hydroxy{[(2E,6E,10E,14E,18E,22E,26E,30E, 34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8-(4- aminobutyl)-11-(2-carboxyethyl)-2,5,14-trimethyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecan-1-oic acid (non-preferred name)

• SMILES

  CC(C)=CCC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/COP(O)(=O)OP(O)(=O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(O)=O)[C@H]1NC(C)=O

• Std. InChi

  InChI=1S/C94H156N8O26P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-122-129(118,119)128-130(120,121)127-94-82(100-75(18)106)86(85(79(58-104)125-94)126-93-81(99-74(17)105)84(110)83(109)78(57-103)124-93)123-73(16)89(113)96-71(14)88(112)101-77(52-53-80(107)108)91(115)102-76(51-19-20-55-95)90(114)97-70(13)87(111)98-72(15)92(116)117/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,103-104,109-110H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H,96,113)(H,97,114)(H,98,111)(H,99,105)(H,100,106)(H,101,112)(H,102,115)(H,107,108)(H,116,117)(H,118,119)(H,120,121)/b60-33+,61-35+,62-37+,63-39+,64-41+,65-43+,66-45+,67-47+,68-49+,69-54+/t70-,71+,72-,73?,76+,77-,78-,79-,81-,82-,83-,84-,85-,86-,93+,94-/m1/s1

• Std. InChIKey

  MYJUVRULDQURQG-WNOWQJICSA-N

• Cite this record

  CSID:78315870, http://www.chemspider.com/Chemical-Structure.78315870.html (accessed 13:09, Jul 8, 2024)