Basic Information |
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Product Name: | GGESSNEAKGMWFGPRL |
English Synonyms: | PYROKININ-5B ; GGESSNEAKGMWFGPRL |
MDL Number.: | MFCD18252093 |
H bond acceptor: | 48 |
H bond donor: | 27 |
Smile: | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CN |
InChi: | InChI=1S/C79H119N23O25S/c1-41(2)30-55(78(126)127)99-70(118)48(19-12-27-85-79(83)84)95-77(125)58-20-13-28-102(58)63(109)38-89-68(116)52(31-43-14-6-5-7-15-43)96-73(121)53(32-44-35-86-46-17-9-8-16-45(44)46)97-72(120)51(25-29-128-4)92-62(108)37-88-67(115)47(18-10-11-26-80)93-66(114)42(3)90-69(117)50(22-24-65(112)113)94-74(122)54(33-59(82)105)98-75(123)56(39-103)101-76(124)57(40-104)100-71(119)49(21-23-64(110)111)91-61(107)36-87-60(106)34-81/h5-9,14-17,35,41-42,47-58,86,103-104H,10-13,18-34,36-40,80-81H2,1-4H3,(H2,82,105)(H,87,106)(H,88,115)(H,89,116)(H,90,117)(H,91,107)(H,92,108)(H,93,114)(H,94,122)(H,95,125)(H,96,121)(H,97,120)(H,98,123)(H,99,118)(H,100,119)(H,101,124)(H,110,111)(H,112,113)(H,126,127)(H4,83,84,85)/t42-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1 |
InChiKey: | InChIKey=LISYXRAZCZTDBB-NDXBKAHUSA-N |
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