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- 7 of 7 defined stereocentres
(2S,5R,11S,16S,19S)-2-Amino-19-{[(2S)-2-{[(2R)-2-amino-3-(1H-indol-2-yl)propanoyl]amino}hexanoyl]amino}-11,16-dibenzyl-1-(4-hydroxyphenyl)-5-methyl-3,6,9,12,15,18-hexaoxo-4,7,10,13,14,17-hexaazahenico san-21-oic acid
CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc3ccc(cc3)O)N)NC(=O)[C@@H](Cc4cc5ccccc5[nH]4)N
InChI=1S/C53H65N11O11/c1-3-4-18-41(60-49(71)39(55)28-36-27-35-17-11-12-19-40(35)58-36)50(72)62-44(29-46(67)68)51(73)61-43(26-33-15-9-6-10-16-33)53(75)64-63-52(74)42(25-32-13-7-5-8-14-32)59-45(66)30-56-47(69)31(2)57-48(70)38(54)24-34-20-22-37(65)23-21-34/h5-17,19-23,27,31,38-39,41-44,58,65H,3-4,18,24-26,28-30,54-55H2,1-2H3,(H,56,69)(H,57,70)(H,59,66)(H,60,71)(H,61,73)(H,62,72)(H,63,74)(H,64,75)(H,67,68)/t31-,38+,39-,41+,42+,43+,44+/m1/s1
NXHWDEQNHXTHJU-AYMWOJQISA-N
CSID:23278538, http://www.chemspider.com/Chemical-Structure.23278538.html (accessed 19:26, May 21, 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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