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- 7 of 7 defined stereocentres
N-({(5R,8R,11R)-8-(4-Hydroxybenzyl)-11-[(N-methylglycyl-L-arginyl)amino]-7,10-dioxo-1,2-dithia-6,9-diazacyclotridecan-5-yl}carbonyl)-L-histidyl-D-prolyl-L-phenylalanine
CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](NC1=O)Cc2ccc(cc2)O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N4CCC[C@@H]4C(=O)N[C@@H](Cc5ccccc5)C(=O)O
InChI=1S/C46H63N13O10S2/c1-49-25-38(61)53-31(9-5-17-51-46(47)48)39(62)54-32-15-19-70-71-20-16-33(55-42(65)34(56-40(32)63)21-28-11-13-30(60)14-12-28)41(64)57-35(23-29-24-50-26-52-29)44(67)59-18-6-10-37(59)43(66)58-36(45(68)69)22-27-7-3-2-4-8-27/h2-4,7-8,11-14,24,26,31-37,49,60H,5-6,9-10,15-23,25H2,1H3,(H,50,52)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,57,64)(H,58,66)(H,68,69)(H4,47,48,51)/t31-,32+,33+,34+,35-,36-,37+/m0/s1
VUJKZLLQFJUYIG-VZQVFHNMSA-N
CSID:23149908, http://www.chemspider.com/Chemical-Structure.23149908.html (accessed 16:34, Jun 14, 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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