Try beta.chemspider
- Double-bond stereo
- 25 of 30 defined stereocentres
N~1~-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,39R,42R,45R,48S,49S)-24,42-Bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-18,30,39-tris(1-hydroxyethyl)-15,33,36,45-tetrakis(4-hydroxyph enyl)-9-isobutyl-21-(4-{[2-O-(alpha-D-mannopyranosyl)-alpha-D-mannopyranosyl]oxy}phenyl)-6-methyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43 ,46-pentadecaazacyclononatetracontan-48-yl]-N~2~-[(2Z,4Z)-2,4-octadienoyl]-L-aspartamide
CCC/C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)c2ccc(cc2)O)CCCN)C(C)O)c3ccc(cc3)O)c4ccc(cc4)O)C(C)O)Cc5ccccc5)CCCN)c6ccc(cc6)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(C)O)c9ccc(cc9)O)CC(C)C)C)c1ccc(c(c1)Cl)O)C(=O)N
InChI=1S/C118H152ClN21O40/c1-8-9-10-11-15-22-81(152)126-76(50-80(122)151)106(165)140-92-98(100(123)159)179-116(175)91(65-33-44-77(150)71(119)49-65)139-101(160)55(4)125-104(163)74(47-54(2)3)127-82(153)51-124-107(166)86(60-23-34-66(146)35-24-60)135-110(169)85(58(7)145)133-112(171)88(64-31-42-70(43-32-64)176-118-99(96(157)94(155)79(53-142)178-118)180-117-97(158)95(156)93(154)78(52-141)177-117)134-103(162)72(20-16-45-120)128-105(164)75(48-59-18-13-12-14-19-59)130-108(167)83(56(5)143)132-113(172)89(62-27-38-68(148)39-28-62)137-114(173)90(63-29-40-69(149)41-30-63)136-109(168)84(57(6)144)131-102(161)73(21-17-46-121)129-111(170)87(138-115(92)174)61-25-36-67(147)37-26-61/h10-15,18-19,22-44,49,54-58,72-76,78-79,83-99,117-118,141-150,154-158H,8-9,16-17,20-21,45-48,50-53,120-121H2,1-7H3,(H2,122,151)(H2,123,159)(H,124,166)(H,125,163)(H,126,152)(H,127,153)(H,128,164)(H,129,170)(H,130,167)(H,131,161)(H,132,172)(H,133,171)(H,134,162)(H,135,169)(H,136,168)(H,137,173)(H,138,174)(H,139,160)(H,140,165)/b11-10-,22-15-/t55-,56?,57?,58?,72-,73-,74+,75+,76+,78-,79-,83+,84-,85-,86+,87-,88+,89?,90?,91+,92+,93-,94-,95+,96+,97+,98+,99+,117-,118+/m1/s1
QMJRFQRMRCJRIV-CFSWCNMISA-N
CSID:16736746, http://www.chemspider.com/Chemical-Structure.16736746.html (accessed 03:25, Jul 4, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
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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