Try beta.chemspider
- 9 of 9 defined stereocentres
N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-Aminobutyl)-5-benzyl-21-hydroxy-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-N~2~-hexanoyl -L-alpha-asparagine
CN1[C@@H](CC2C=CC=CC=2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CCCCC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@@H](O)N([C@@H](CC(C)C)C1=O)C2=O
InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31+,32+,33+,34+,36-,38+,39+/m1/s1
KSVGOBQTQGOLQM-WBJGGQTMSA-N
CSID:78437037, http://www.chemspider.com/Chemical-Structure.78437037.html (accessed 06:28, Jun 1, 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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