basic_info |
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| Product_Name： | SIVMAC239 GAG-26 |
| EnglishSynonyms： | YRQQNPIPVGNIYRRWIQLG ; SIVMAC239 GAG-26 ; H-TYR-ARG-GLN-GLN-ASN-PRO-ILE-PRO-VAL-GLY-ASN-ILE-TYR-ARG-ARG-TRP-ILE-GLN-LEU-GLY-OH |
| pro_mdlNumber： | MFCD03790624 |
| pro_acceptors： | 63 |
| pro_donors： | 36 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc6ccc(cc6)O)N |
| InChi： | InChI=1S/C113H175N35O28/c1-11-58(8)90(107(173)138-74(38-41-84(117)153)99(165)139-75(47-56(4)5)94(160)131-55-88(157)158)144-102(168)77(50-63-53-129-68-22-15-14-21-66(63)68)140-97(163)71(25-18-44-128-113(124)125)134-96(162)70(24-17-43-127-112(122)123)135-101(167)76(49-62-30-34-65(150)35-31-62)141-108(174)91(59(9)12-2)145-103(169)78(51-85(118)154)132-87(156)54-130-106(172)89(57(6)7)143-104(170)81-27-20-46-148(81)110(176)92(60(10)13-3)146-105(171)80-26-19-45-147(80)109(175)79(52-86(119)155)142-100(166)73(37-40-83(116)152)137-98(164)72(36-39-82(115)151)136-95(161)69(23-16-42-126-111(120)121)133-93(159)67(114)48-61-28-32-64(149)33-29-61/h14-15,21-22,28-35,53,56-60,67,69-81,89-92,129,149-150H,11-13,16-20,23-27,36-52,54-55,114H2,1-10H3,(H2,115,151)(H2,116,152)(H2,117,153)(H2,118,154)(H2,119,155)(H,130,172)(H,131,160)(H,132,156)(H,133,159)(H,134,162)(H,135,167)(H,136,161)(H,137,164)(H,138,173)(H,139,165)(H,140,163)(H,141,174)(H,142,166)(H,143,170)(H,144,168)(H,145,169)(H,146,171)(H,157,158)(H4,120,121,126)(H4,122,123,127)(H4,124,125,128)/t58-,59-,60-,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-/m0/s1 |
| InChiKey： | InChIKey=WTDQVAKQSRUPEL-KVJZGWOWSA-N |
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