Basic Information |
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| Product Name： | ATKAARKSAPATGGVKKPHRYRPG |
| English Synonyms： | ATKAARKSAPATGGVKKPHRYRPG ; HISTONE H3 (21-44) |
| MDL Number.： | MFCD18251930 |
| H bond acceptor： | 68 |
| H bond donor： | 40 |
| Smile： | CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N4CCC[C@H]4C(=O)NCC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N |
| InChi： | InChI=1S/C109H185N39O29/c1-56(2)83(102(173)136-69(26-12-16-40-112)92(163)138-72(27-13-17-41-113)105(176)148-47-23-33-79(148)100(171)141-75(49-65-50-121-55-128-65)96(167)135-71(29-19-43-123-108(117)118)93(164)140-74(48-64-34-36-66(152)37-35-64)95(166)139-73(30-20-44-124-109(119)120)106(177)147-46-21-31-77(147)98(169)127-53-82(155)156)143-81(154)52-125-80(153)51-126-101(172)84(62(8)150)145-89(160)60(6)131-99(170)78-32-22-45-146(78)104(175)61(7)132-97(168)76(54-149)142-94(165)68(25-11-15-39-111)134-91(162)70(28-18-42-122-107(115)116)133-88(159)59(5)129-87(158)58(4)130-90(161)67(24-10-14-38-110)137-103(174)85(63(9)151)144-86(157)57(3)114/h34-37,50,55-63,67-79,83-85,149-152H,10-33,38-49,51-54,110-114H2,1-9H3,(H,121,128)(H,125,153)(H,126,172)(H,127,169)(H,129,158)(H,130,161)(H,131,170)(H,132,168)(H,133,159)(H,134,162)(H,135,167)(H,136,173)(H,137,174)(H,138,163)(H,139,166)(H,140,164)(H,141,171)(H,142,165)(H,143,154)(H,144,157)(H,145,160)(H,155,156)(H4,115,116,122)(H4,117,118,123)(H4,119,120,124)/t57-,58-,59-,60-,61-,62+,63+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,83-,84-,85-/m0/s1 |
| InChiKey： | InChIKey=CUGFAOZKGFIRML-KAYREGOISA-N |
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