Basic Information |
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| Product Name： | PEXIGANAN |
| CAS： | 147664-63-9 |
| English Synonyms： | PEXIGANAN |
| MDL Number.： | MFCD07772290 |
| H bond acceptor： | 54 |
| H bond donor： | 32 |
| Smile： | CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN |
| InChi： | InChI=1S/C122H209N31O23/c1-13-77(9)102(151-98(154)71-132)119(172)134-73-100(156)138-85(49-25-34-58-124)109(162)149-96(69-82-44-20-16-21-45-82)117(170)147-93(66-74(3)4)115(168)142-88(52-28-37-61-127)111(164)140-86(50-26-35-59-125)108(161)136-79(11)104(157)139-87(51-27-36-60-126)110(163)141-90(54-30-39-63-129)113(166)148-95(68-81-42-18-15-19-43-81)106(159)133-72-99(155)137-84(48-24-33-57-123)107(160)135-80(12)105(158)146-97(70-83-46-22-17-23-47-83)118(171)152-101(76(7)8)120(173)144-91(55-31-40-64-130)114(167)153-103(78(10)14-2)121(174)150-94(67-75(5)6)116(169)143-89(53-29-38-62-128)112(165)145-92(122(175)176)56-32-41-65-131/h15-23,42-47,74-80,84-97,101-103H,13-14,24-41,48-73,123-132H2,1-12H3,(H,133,159)(H,134,172)(H,135,160)(H,136,161)(H,137,155)(H,138,156)(H,139,157)(H,140,164)(H,141,163)(H,142,168)(H,143,169)(H,144,173)(H,145,165)(H,146,158)(H,147,170)(H,148,166)(H,149,162)(H,150,174)(H,151,154)(H,152,171)(H,153,167)(H,175,176)/t77-,78-,79-,80-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1 |
| InChiKey： | InChIKey=ZKENSPLIVRWDRS-KAYYGGFYSA-N |
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