Basic Information |
|
| Product Name： | 43GAP 36, CONNEXIN MIMETIC |
| English Synonyms： | H-LYS-ARG-ASP-PRO-CYS-HIS-GLN-VAL-ASP-CYS-PHE-LEU-SER-ARG-PRO-THR-GLU-LYS-OH ; 43GAP 36, CONNEXIN MIMETIC ; KRDPCHQVDCFLSRPTEK |
| MDL Number.： | MFCD11113692 |
| H bond acceptor： | 57 |
| H bond donor： | 32 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CS)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N |
| InChi： | InChI=1S/C91H147N29O28S2/c1-45(2)35-56(76(134)114-61(41-121)80(138)107-54(22-14-32-102-91(98)99)87(145)119-33-16-24-65(119)84(142)118-71(47(5)122)86(144)106-53(26-28-67(124)125)74(132)108-55(89(147)148)20-10-12-30-93)109-77(135)57(36-48-17-7-6-8-18-48)110-81(139)62(42-149)115-79(137)59(38-68(126)127)112-85(143)70(46(3)4)117-75(133)52(25-27-66(95)123)105-78(136)58(37-49-40-100-44-103-49)111-82(140)63(43-150)116-83(141)64-23-15-34-120(64)88(146)60(39-69(128)129)113-73(131)51(21-13-31-101-90(96)97)104-72(130)50(94)19-9-11-29-92/h6-8,17-18,40,44-47,50-65,70-71,121-122,149-150H,9-16,19-39,41-43,92-94H2,1-5H3,(H2,95,123)(H,100,103)(H,104,130)(H,105,136)(H,106,144)(H,107,138)(H,108,132)(H,109,135)(H,110,139)(H,111,140)(H,112,143)(H,113,131)(H,114,134)(H,115,137)(H,116,141)(H,117,133)(H,118,142)(H,124,125)(H,126,127)(H,128,129)(H,147,148)(H4,96,97,101)(H4,98,99,102)/t47-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,70+,71+/m1/s1 |
| InChiKey： | InChIKey=DDDFXXITHBKLEL-ANECOSBOSA-N |
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