basic_info |
|
| Product_Name： | POLYPHEMUSIN-2 |
| EnglishSynonyms： | RRWCFRVCYKGFCYRKCR ; POLYPHEMUSIN-2 |
| pro_mdlNumber： | MFCD18252163 |
| pro_acceptors： | 57 |
| pro_donors： | 39 |
| pro_smile： | CC(C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CS)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N |
| InChi： | InChI=1S/C108H164N36O21S4/c1-59(2)86(144-92(153)74(31-18-46-125-107(118)119)134-95(156)77(49-61-22-7-4-8-23-61)136-100(161)83(57-168)142-97(158)80(52-64-53-127-69-26-10-9-24-67(64)69)139-90(151)72(29-16-44-123-105(114)115)130-87(148)68(111)25-15-43-122-104(112)113)102(163)143-84(58-169)101(162)138-78(50-62-33-37-65(145)38-34-62)94(155)131-70(27-11-13-41-109)88(149)128-54-85(147)129-76(48-60-20-5-3-6-21-60)93(154)141-82(56-167)99(160)137-79(51-63-35-39-66(146)40-36-63)96(157)133-73(30-17-45-124-106(116)117)89(150)132-71(28-12-14-42-110)91(152)140-81(55-166)98(159)135-75(103(164)165)32-19-47-126-108(120)121/h3-10,20-24,26,33-40,53,59,68,70-84,86,127,145-146,166-169H,11-19,25,27-32,41-52,54-58,109-111H2,1-2H3,(H,128,149)(H,129,147)(H,130,148)(H,131,155)(H,132,150)(H,133,157)(H,134,156)(H,135,159)(H,136,161)(H,137,160)(H,138,162)(H,139,151)(H,140,152)(H,141,154)(H,142,158)(H,143,163)(H,144,153)(H,164,165)(H4,112,113,122)(H4,114,115,123)(H4,116,117,124)(H4,118,119,125)(H4,120,121,126)/t68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,86-/m0/s1 |
| InChiKey： | InChIKey=QTFCMJVCIWCQQS-ZDHPVZJOSA-N |
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