Try beta.chemspider
- Double-bond stereo
- 14 of 16 defined stereocentres
(2R,3Z,5R,6Z,8S,9Z,14Z,16S,17Z)-8-(4-Aminobutyl)-13-carboxy-19-{[(2R,3S,4R,5R,6R)-3-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(Z)-(1-hydroxyethylidene)amino]-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-5 -[(Z)-(1-hydroxyethylidene)amino]-6-({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)-2-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-4,7,10,15,18-pentahydroxy-2,5,16-trimethyl-3,6,9,14,17-pentaazaicosa-3,6,9,14,17-pentaen-1-oic acid (non-preferred nam e)
NCCCC[C@]([H])(N=C(O)CCC([H])(N=C(O)[C@@](C)([H])N=C(O)C(C)([H])O[C@@]1([H])[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@](O)([H])[C@@](O)([H])[C@@]2([H])N=C(C)O)[C@@]([H])(CO)O[C@]([H])(OP(O)(=O)OP(O)(=O)OC\\C([H])=C(/C)CC\\C([H])=C(/C)CC\\C([H])=C(/C)CC\\C([H])=C(/C)CC\\C([H])=C(/C)CC\\C([H])=C(/C)CC\\C([H])=C(/C)CC\\C([H])=C(/C)CC\\C([H])=C(/C)CC\\C([H])=C(/C)CCC=C(C)C)[C@]1([H])N=C(C)O)C(=O)O)C(O)=N[C@@](C)([H])C(O)=N[C@@](C)([H])C(=O)O C[C@H](/C(=N/[C@H](C)C(=O)O)/O)/N=C(/[C@H](CCCCN)/N=C(/CCC(C(=O)O)/N=C(/[C@H](C)/N=C(/C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)/N=C(/C)\O)CO)OP(=O)(O)OP(=O)(O)OC/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)/CCC=C(C)C)/N=C(/C)\O)\O)\O)\O)\O
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(109)83(108)78(57-103)124-93)123-73(16)89(112)96-71(14)88(111)102-77(92(116)117)52-53-80(107)101-76(51-19-20-55-95)90(113)97-70(13)87(110)98-72(15)91(114)115/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,103-104,108-109H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H,96,112)(H,97,113)(H,98,110)(H,99,105)(H,100,106)(H,101,107)(H,102,111)(H,114,115)(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
ULXTYUPMJXVUHQ-ONIGEKDKSA-N
CSID:59700467, http://www.chemspider.com/Chemical-Structure.59700467.html (accessed 13:52, Jul 8, 2024)
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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