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- 18 of 18 defined stereocentres
Glycyl-L-phenylalanylglycyl-L-lysyl-L-alanyl-L-phenylalanyl-L-histidyl-L-seryl-L-valyl-L-seryl-L-asparaginyl-L-phenylalanyl-L-alanyl-L-lysyl-L-lysyl-L-histidyl-L-lysyl-L-threonyl-L-alaninamide
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc5ccccc5)NC(=O)CN)O
InChI=1S/C95H145N29O23/c1-52(2)77(123-93(145)73(49-126)121-90(142)70(42-61-46-104-51-107-61)119-88(140)68(40-59-28-14-9-15-29-59)116-81(133)55(5)109-83(135)62(30-16-20-34-96)111-76(130)47-105-82(134)66(112-75(129)44-100)38-57-24-10-7-11-25-57)94(146)122-72(48-125)92(144)120-71(43-74(101)128)91(143)117-67(39-58-26-12-8-13-27-58)87(139)110-54(4)80(132)113-63(31-17-21-35-97)84(136)114-64(32-18-22-36-98)85(137)118-69(41-60-45-103-50-106-60)89(141)115-65(33-19-23-37-99)86(138)124-78(56(6)127)95(147)108-53(3)79(102)131/h7-15,24-29,45-46,50-56,62-73,77-78,125-127H,16-23,30-44,47-49,96-100H2,1-6H3,(H2,101,128)(H2,102,131)(H,103,106)(H,104,107)(H,105,134)(H,108,147)(H,109,135)(H,110,139)(H,111,130)(H,112,129)(H,113,132)(H,114,136)(H,115,141)(H,116,133)(H,117,143)(H,118,137)(H,119,140)(H,120,144)(H,121,142)(H,122,146)(H,123,145)(H,124,138)/t53-,54-,55-,56+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,77-,78-/m0/s1
AFQLVRYQIBCPCA-RFTSVWPLSA-N
CSID:26349776, http://www.chemspider.com/Chemical-Structure.26349776.html (accessed 13:58, May 20, 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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