basic_info |
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| Product_Name： | AC-ALA-LEU-CYS-ASP-ASP-PRO-ARG-VAL-ASP-ARG-TRP-TYR-CYS-GLN-PHE-VAL-GLU-GLY-NH2 (DISULFIDE BOND) |
| EnglishSynonyms： | AC-ALA-LEU-CYS-ASP-ASP-PRO-ARG-VAL-ASP-ARG-TRP-TYR-CYS-GLN-PHE-VAL-GLU-GLY-NH2 (DISULFIDE BOND) ; E-76 ; AC-ALA-LEU-CYS-ASP-ASP-PRO-ARG-VAL-ASP-ARG-TRP-TYR-CYS-GLN-PHE-VAL-GLU-GLY-NH2 [DISULFIDE BRIDGE: 3-13] ; ACETYL-ALA-LEU-CYS-ASP-ASP-PRO-ARG-VAL-ASP-ARG-TRP-TYR-CYS-GLN-PHE-VAL-GLU-GLY-NH2 [DISULFIDE BRIDGE: 3-13] |
| pro_mdlNumber： | MFCD18633527 |
| pro_acceptors： | 56 |
| pro_donors： | 31 |
| pro_smile： | CC(C)C[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CC(=O)O)CCCNC(=N)N)C(C)C)CC(=O)O)CCCNC(=N)N)Cc3c[nH]c4c3cccc4)Cc5ccc(cc5)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc6ccccc6)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N)NC(=O)[C@H](C)NC(=O)C |
| InChi： | InChI=1S/C97H139N27O29S2/c1-46(2)35-61(113-79(137)49(7)108-50(8)125)84(142)120-69-45-155-154-44-68(90(148)110-60(28-30-71(98)127)82(140)114-63(36-51-17-10-9-11-18-51)89(147)123-77(47(3)4)93(151)112-59(29-31-73(129)130)80(138)107-43-72(99)128)121-85(143)62(37-52-24-26-54(126)27-25-52)115-86(144)64(38-53-42-106-56-20-13-12-19-55(53)56)116-81(139)57(21-14-32-104-96(100)101)109-87(145)66(40-75(133)134)118-94(152)78(48(5)6)122-83(141)58(22-15-33-105-97(102)103)111-92(150)70-23-16-34-124(70)95(153)67(41-76(135)136)119-88(146)65(39-74(131)132)117-91(69)149/h9-13,17-20,24-27,42,46-49,57-70,77-78,106,126H,14-16,21-23,28-41,43-45H2,1-8H3,(H2,98,127)(H2,99,128)(H,107,138)(H,108,125)(H,109,145)(H,110,148)(H,111,150)(H,112,151)(H,113,137)(H,114,140)(H,115,144)(H,116,139)(H,117,149)(H,118,152)(H,119,146)(H,120,142)(H,121,143)(H,122,141)(H,123,147)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H4,100,101,104)(H4,102,103,105)/t49-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,77-,78-/m0/s1 |
| InChiKey： | InChIKey=IIZLCMCPDOZBBI-GSIUEFEKSA-N |
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