H2N-KKERLLDDRHDSGLDSMKDEEY-OH

CAS号
CCD编号
CCD00629288
分子式
C111 H179 N33 O42 S
分子量
2679.89

基本信息

产品名称: H2N-KKERLLDDRHDSGLDSMKDEEY-OH
英文同义词: H2N-KKERLLDDRHDSGLDSMKDEEY-OH ; NF KAPPA B INHIBITOR ALPHA (21-42) [HOMO SAPIENS]
MDL号: MFCD08274111
氢键受体数量: 75
氢键供体数量: 44
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N
InChi: InChI=1S/C111H179N33O42S/c1-53(2)38-68(99(175)138-76(47-88(163)164)107(183)144-79(51-146)108(184)133-67(31-37-187-7)98(174)127-61(18-10-13-34-114)92(168)137-72(43-84(155)156)104(180)132-65(26-29-82(151)152)96(172)131-66(27-30-83(153)154)97(173)142-77(109(185)186)41-56-21-23-58(147)24-22-56)125-80(148)49-123-90(166)78(50-145)143-106(182)75(46-87(161)162)140-102(178)71(42-57-48-120-52-124-57)136-94(170)63(20-15-36-122-111(118)119)129-103(179)73(44-85(157)158)141-105(181)74(45-86(159)160)139-101(177)70(40-55(5)6)135-100(176)69(39-54(3)4)134-93(169)62(19-14-35-121-110(116)117)128-95(171)64(25-28-81(149)150)130-91(167)60(17-9-12-33-113)126-89(165)59(115)16-8-11-32-112/h21-24,48,52-55,59-79,145-147H,8-20,25-47,49-51,112-115H2,1-7H3,(H,120,124)(H,123,166)(H,125,148)(H,126,165)(H,127,174)(H,128,171)(H,129,179)(H,130,167)(H,131,172)(H,132,180)(H,133,184)(H,134,169)(H,135,176)(H,136,170)(H,137,168)(H,138,175)(H,139,177)(H,140,178)(H,141,181)(H,142,173)(H,143,182)(H,144,183)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,185,186)(H4,116,117,121)(H4,118,119,122)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1
InChiKey: InChIKey=ILRLPNLFZQBEGZ-BRJKSFPPSA-N

* If the product has intellectual property rights, a license granted is must or contact us.