- Double-bond stereo
- 13 of 14 defined stereocentres
(9E,12E)-N-{(2R,6S,9R,11R,12R,14aS,15S,16S,20S,23S,25aS)-2,11,12,15-Tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-23-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahy dro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-9,12-octadecadienamide
O=C1N4[C@H](C(=O)N[C@H](O)[C@H](O)C[C@@H](NC(=O)CCCCCCC/C=C/C/C=C/CCCCC)C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H]1[C@H](O)C)[C@H](O)Cc2ccc(O)cc2)C[C@@H](O)C3)[C@H](O)C)[C@@H](O)[C@@H](C)C4
InChI=1S/C52H81N7O15/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40(66)53-36-27-39(65)48(70)57-50(72)44-45(67)30(2)28-59(44)52(74)42(32(4)61)55-49(71)43(38(64)25-33-21-23-34(62)24-22-33)56-47(69)37-26-35(63)29-58(37)51(73)41(31(3)60)54-46(36)68/h9-10,12-13,21-24,30-32,35-39,41-45,48,60-65,67,70H,5-8,11,14-20,25-29H2,1-4H3,(H,53,66)(H,54,68)(H,55,71)(H,56,69)(H,57,72)/b10-9+,13-12+/t30-,31+,32+,35+,36+,37?,38+,39+,41-,42-,43-,44-,45-,48+/m0/s1
NZZDHXBKVFENNY-JIOMDPJCSA-N
CSID:8435989, http://www.chemspider.com/Chemical-Structure.8435989.html (accessed 08:52, Mar 29, 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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