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- Double-bond stereo
- 6 of 16 defined stereocentres
N-(5-Methylhexanoyl)valyl-L-allothreonyl-L-valylvalyl-L-prolyl-L-ornithyl-N-[(3S,6Z,9S,18R,19S)-9-benzyl-15-sec-butyl-6-ethylidene-3,12-diisopropyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16- pentaazacyclononadecan-18-yl]isoleucinamide
CC(C)C(NC(=O)CCCC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)N[C@@H](CCCN)C(=O)NC(C(C)CC)C(=O)N[C@@H]3C(C)OC(=O)[C@@H](NC(=O)C(\NC(=O)[C@H](Cc2ccccc2)NC(=O)C(NC(=O)C(NC3=O)C(C)CC)C(C)C)=C\C)C(C)C
InChI=1S/C75H124N14O16/c1-20-44(16)59(71(100)88-62-47(19)105-75(104)58(43(14)15)84-63(92)49(22-3)77-65(94)51(37-48-30-24-23-25-31-48)79-67(96)55(40(8)9)81-70(99)60(45(17)21-2)86-73(62)102)85-64(93)50(32-27-35-76)78-66(95)52-33-28-36-89(52)74(103)57(42(12)13)83-69(98)56(41(10)11)82-72(101)61(46(18)90)87-68(97)54(39(6)7)80-53(91)34-26-29-38(4)5/h22-25,30-31,38-47,50-52,54-62,90H,20-21,26-29,32-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b49-22-/t44?,45?,46?,47?,50-,51-,52?,54?,55?,56-,57?,58-,59?,60?,61-,62+/m0/s1
RCGXNDQKCXNWLO-JULGIPTBSA-N
CSID:10479814, http://www.chemspider.com/Chemical-Structure.10479814.html (accessed 03:57, 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
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