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- Double-bond stereo
- 15 of 15 defined stereocentres
(3R)-N-[(E)-1-[[(3S,6S,12R,15E,18R,21R,24S,25R)-12-(3-amino-3-oxo-propyl)-15-ethylidene-21-(1-hydroxyethyl)-18-[(4-hydroxyphenyl)methyl]-3-(3H-imidazol-4-ylmethyl)-7,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-6-[(1S)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]-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)N/C(=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@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C)CCC(=O)N)Cc4ccc(O)cc4)[C@H](O)C)C[C@H](O)CCCCCCCCCCC
InChI=1S/C63H96N12O21/c1-8-11-12-13-14-15-16-17-18-19-39(79)28-47(81)68-40(9-2)57(88)74-50-34(5)94-62(93)44(27-37-29-65-32-67-37)72-61(92)51(35(6)95-63-54(85)53(84)52(83)45(31-76)96-63)75(7)48(82)30-66-55(86)42(24-25-46(64)80)70-56(87)41(10-3)69-58(89)43(26-36-20-22-38(78)23-21-36)71-59(90)49(33(4)77)73-60(50)91/h9-10,20-23,29,32-35,39,42-45,49-54,63,76-79,83-85H,8,11-19,24-28,30-31H2,1-7H3,(H2,64,80)(H,65,67)(H,66,86)(H,68,81)(H,69,89)(H,70,87)(H,71,90)(H,72,92)(H,73,91)(H,74,88)/b40-9+,41-10+/t33-,34-,35+,39-,42-,43-,44+,45-,49-,50+,51+,52-,53+,54-,63+/m1/s1
JZKVLKBVTSOCID-NJJAETPXSA-N
CSID:8971835, http://www.chemspider.com/Chemical-Structure.8971835.html (accessed 03:33, 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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