basic_info |
|
| Product_Name： | SIVMAC239 GAG-49 |
| EnglishSynonyms： | REKQRESREKPYKEVTEDLL ; SIVMAC239 GAG-49 ; H-ARG-GLU-LYS-GLN-ARG-GLU-SER-ARG-GLU-LYS-PRO-TYR-LYS-GLU-VAL-THR-GLU-ASP-LEU-LEU-OH |
| pro_mdlNumber： | MFCD03790646 |
| pro_acceptors： | 70 |
| pro_donors： | 42 |
| pro_smile： | CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)N |
| InChi： | InChI=1S/C108H181N33O37/c1-53(2)48-71(97(169)137-74(105(177)178)49-54(3)4)134-99(171)73(51-83(156)157)135-94(166)68(33-39-81(152)153)132-103(175)85(56(7)143)140-102(174)84(55(5)6)139-96(168)69(34-40-82(154)155)131-88(160)61(20-9-12-42-110)126-98(170)72(50-57-25-27-58(144)28-26-57)136-101(173)76-24-17-47-141(76)104(176)70(21-10-13-43-111)133-93(165)66(31-37-79(148)149)129-90(162)63(23-16-46-122-108(118)119)127-100(172)75(52-142)138-95(167)67(32-38-80(150)151)130-89(161)62(22-15-45-121-107(116)117)125-91(163)64(29-35-77(113)145)128-87(159)60(19-8-11-41-109)124-92(164)65(30-36-78(146)147)123-86(158)59(112)18-14-44-120-106(114)115/h25-28,53-56,59-76,84-85,142-144H,8-24,29-52,109-112H2,1-7H3,(H2,113,145)(H,123,158)(H,124,164)(H,125,163)(H,126,170)(H,127,172)(H,128,159)(H,129,162)(H,130,161)(H,131,160)(H,132,175)(H,133,165)(H,134,171)(H,135,166)(H,136,173)(H,137,169)(H,138,167)(H,139,168)(H,140,174)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,177,178)(H4,114,115,120)(H4,116,117,121)(H4,118,119,122)/t56-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,84+,85+/m1/s1 |
| InChiKey： | InChIKey=ORPVHGJGOMXSHH-QLILCYFZSA-N |
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