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- Double-bond stereo
- 10 of 10 defined stereocentres
(3R)-N-[(E)-1-[[(3S,6S,12R,15E,18R,21R,24S,25R)-12-(3-amino-3-oxo-propyl)-15-ethylidene-6,21-bis(1-hydroxyethyl)-18-[(4-hydroxyphenyl)methyl]-3-(3H-imidazol-4-ylmethyl)-7,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]carbamoyl]prop-1-enyl]-3-hydroxy-tetradecanamide
O=C(N/C(=C/C)C(=O)N[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(=C/C)/C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)O[C@@H]1C)Cc2cncn2)[C@@H](O)C)CCC(=O)N)Cc3ccc(O)cc3)[C@H](O)C)C[C@H](O)CCCCCCCCCCC
InChI=1S/C57H86N12O16/c1-8-11-12-13-14-15-16-17-18-19-38(73)28-45(75)62-39(9-2)52(79)68-48-34(6)85-57(84)43(27-36-29-59-31-61-36)66-56(83)49(33(5)71)69(7)46(76)30-60-50(77)41(24-25-44(58)74)64-51(78)40(10-3)63-53(80)42(26-35-20-22-37(72)23-21-35)65-54(81)47(32(4)70)67-55(48)82/h9-10,20-23,29,31-34,38,41-43,47-49,70-73H,8,11-19,24-28,30H2,1-7H3,(H2,58,74)(H,59,61)(H,60,77)(H,62,75)(H,63,80)(H,64,78)(H,65,81)(H,66,83)(H,67,82)(H,68,79)/b39-9+,40-10+/t32-,33+,34-,38-,41-,42-,43+,47-,48+,49+/m1/s1
WRRXLNFHXIMOFU-QXTPRVETSA-N
CSID:8052593, http://www.chemspider.com/Chemical-Structure.8052593.html (accessed 03:52, Jul 5, 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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