APRKQLATKAARKSAPATGGVKKPH

CAS号
CCD编号
CCD00739209
分子式
C112 H197 N39 O30
分子量
2570.03

基本信息

产品名称: APRKQLATKAARKSAPATGGVKKPH
英文同义词: APRKQLATKAARKSAPATGGVKKPH ; H-ALA-PRO-ARG-LYS-GLN-LEU-ALA-THR-LYS-ALA-ALA-ARG-LYS-SER-ALA-PRO-ALA-THR-GLY-GLY-VAL-LYS-LYS-PRO-HIS-OH ; HISTONE H3 (116-136), N15-39 ; HISTONE H3 (15-39)
MDL号: MFCD09264926
氢键受体数量: 69
氢键供体数量: 39
Smile: CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)N
InChi: InChI=1S/C112H197N39O30/c1-57(2)50-76(143-98(168)74(38-39-82(119)155)138-93(163)69(29-14-19-41-114)136-95(165)73(34-24-46-126-112(122)123)139-102(172)80-36-25-47-149(80)107(177)59(5)118)99(169)132-62(8)90(160)148-87(66(12)154)106(176)141-68(28-13-18-40-113)92(162)131-60(6)88(158)130-61(7)89(159)135-72(33-23-45-125-111(120)121)94(164)137-70(30-15-20-42-115)97(167)145-78(55-152)100(170)134-64(10)108(178)150-48-26-35-79(150)101(171)133-63(9)91(161)147-86(65(11)153)104(174)128-53-83(156)127-54-84(157)146-85(58(3)4)105(175)140-71(31-16-21-43-116)96(166)142-75(32-17-22-44-117)109(179)151-49-27-37-81(151)103(173)144-77(110(180)181)51-67-52-124-56-129-67/h52,56-66,68-81,85-87,152-154H,13-51,53-55,113-118H2,1-12H3,(H2,119,155)(H,124,129)(H,127,156)(H,128,174)(H,130,158)(H,131,162)(H,132,169)(H,133,171)(H,134,170)(H,135,159)(H,136,165)(H,137,164)(H,138,163)(H,139,172)(H,140,175)(H,141,176)(H,142,166)(H,143,168)(H,144,173)(H,145,167)(H,146,157)(H,147,161)(H,148,160)(H,180,181)(H4,120,121,125)(H4,122,123,126)/t59-,60-,61-,62-,63-,64-,65+,66+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,85-,86-,87-/m0/s1
InChiKey: InChIKey=OERMHEKZOKSJRT-CFXHVETNSA-N

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