Try beta.chemspider
- Double-bond stereo
- 14 of 14 defined stereocentres
(2E)-N-{(3S,6R,9R,12S,15S,18R,21R,24S,27R,30R,31R)-18-(4-Aminobutyl)-27-benzyl-9,21-bis(4-hydroxybenzyl)-6-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-3,15-bis[(1R)-1-hydroxy-2-methylpropyl]-24-isobutyl- 31-methyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl}-3-(2-methylphenyl)acrylamide
Cc1ccccc1/C=C/C(=O)N[C@@H]2[C@H](OC(=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@H](NC(=O)[C@@H](NC(=O)[C@H](NC2=O)Cc3ccccc3)CC(C)C)Cc4ccc(cc4)O)CCCCN)[C@@H](C(C)C)O)CO)Cc5ccc(cc5)O)[C@H](C)O)[C@@H](C(C)C)O)C
InChI=1S/C72H99N11O18/c1-38(2)33-51-64(92)76-52(35-45-22-27-48(86)28-23-45)65(93)74-50(21-15-16-32-73)63(91)82-59(61(89)39(3)4)71(99)79-55(37-84)68(96)77-54(36-46-24-29-49(87)30-25-46)67(95)81-57(42(8)85)69(97)83-60(62(90)40(5)6)72(100)101-43(9)58(80-56(88)31-26-47-20-14-13-17-41(47)7)70(98)78-53(66(94)75-51)34-44-18-11-10-12-19-44/h10-14,17-20,22-31,38-40,42-43,50-55,57-62,84-87,89-90H,15-16,21,32-37,73H2,1-9H3,(H,74,93)(H,75,94)(H,76,92)(H,77,96)(H,78,98)(H,79,99)(H,80,88)(H,81,95)(H,82,91)(H,83,97)/b31-26+/t42-,43+,50+,51-,52+,53+,54+,55-,57+,58+,59-,60-,61+,62+/m0/s1
PAHKNEYDFHZHER-AZCQSNPDSA-N
CSID:40256547, http://www.chemspider.com/Chemical-Structure.40256547.html (accessed 02:30, Jul 2, 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
Advertisement
Spotlight