Try beta.chemspider
- Double-bond stereo
- 30 of 30 defined stereocentres
(2S)-N-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxy-phenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyphenyl]-18,30,39-tris(1-hydroxyethyl)-15,33,36,45-tetrakis(4-hydroxyphenyl)-9-isobutyl-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-pentadecazacyclononatetracont-48-yl]-2-[[(2Z,4E)-6-methylhepta-2,4-dienoyl]amino]butanediamide
C[C@@H]1C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(C)C)c2ccc(cc2)O)[C@@H](C)O)c3ccc(cc3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CCCN)Cc6ccccc6)[C@@H](C)O)c7ccc(cc7)O)c8ccc(cc8)O)[C@@H](C)O)CCCN)c9ccc(cc9)O)NC(=O)[C@H](CC(=O)N)NC(=O)/C=C\C=C\C(C)C)C(=O)N)c1ccc(c(c1)Cl)O
InChI=1S/C118H152ClN21O40/c1-53(2)16-12-13-21-81(152)126-76(49-80(122)151)106(165)140-92-98(100(123)159)179-116(175)91(65-32-43-77(150)71(119)48-65)139-101(160)55(5)125-104(163)74(46-54(3)4)127-82(153)50-124-107(166)86(60-22-33-66(146)34-23-60)135-110(169)85(58(8)145)133-112(171)88(64-30-41-70(42-31-64)176-118-99(96(157)94(155)79(52-142)178-118)180-117-97(158)95(156)93(154)78(51-141)177-117)134-103(162)72(19-14-44-120)128-105(164)75(47-59-17-10-9-11-18-59)130-108(167)83(56(6)143)132-113(172)89(62-26-37-68(148)38-27-62)137-114(173)90(63-28-39-69(149)40-29-63)136-109(168)84(57(7)144)131-102(161)73(20-15-45-121)129-111(170)87(138-115(92)174)61-24-35-67(147)36-25-61/h9-13,16-18,21-43,48,53-58,72-76,78-79,83-99,117-118,141-150,154-158H,14-15,19-20,44-47,49-52,120-121H2,1-8H3,(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)/b16-12+,21-13-/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
VDUMJXOPEWLCJX-DAFKNQNLSA-N
CSID:20565145, http://www.chemspider.com/Chemical-Structure.20565145.html (accessed 19:02, Jul 6, 2024)
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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