IMEKADSNKTRIDEANQRATKMLGSG

CAS号
CCD编号
CCD01020507
分子式
C116 H202 N38 O42 S2
分子量
2865.23

基本信息

产品名称: IMEKADSNKTRIDEANQRATKMLGSG
英文同义词: SNAP-25 (181-206) ; IMEKADSNKTRIDEANQRATKMLGSG ; H-ILE-MET-GLU-LYS-ALA-ASP-SER-ASN-LYS-THR-ARG-ILE-ASP-GLU-ALA-ASN-GLN-ARG-ALA-THR-LYS-MET-LEU-GLY-SER-GLY-OH
MDL号: MFCD11113610
氢键受体数量: 80
氢键供体数量: 47
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)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](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O)N
InChi: InChI=1S/C116H202N38O42S2/c1-14-54(5)87(123)111(193)143-70(36-43-198-13)102(184)139-68(31-34-83(165)166)101(183)136-61(24-16-19-37-117)96(178)132-57(8)92(174)147-74(47-84(167)168)109(191)151-77(52-156)110(192)149-73(46-80(122)161)107(189)138-63(26-18-21-39-119)105(187)154-90(60(11)158)114(196)145-65(28-23-41-129-116(126)127)104(186)152-88(55(6)15-2)112(194)150-75(48-85(169)170)108(190)141-67(30-33-82(163)164)98(180)133-56(7)91(173)146-72(45-79(121)160)106(188)140-66(29-32-78(120)159)100(182)137-64(27-22-40-128-115(124)125)97(179)134-58(9)93(175)153-89(59(10)157)113(195)144-62(25-17-20-38-118)99(181)142-69(35-42-197-12)103(185)148-71(44-53(3)4)94(176)130-49-81(162)135-76(51-155)95(177)131-50-86(171)172/h53-77,87-90,155-158H,14-52,117-119,123H2,1-13H3,(H2,120,159)(H2,121,160)(H2,122,161)(H,130,176)(H,131,177)(H,132,178)(H,133,180)(H,134,179)(H,135,162)(H,136,183)(H,137,182)(H,138,189)(H,139,184)(H,140,188)(H,141,190)(H,142,181)(H,143,193)(H,144,195)(H,145,196)(H,146,173)(H,147,174)(H,148,185)(H,149,192)(H,150,194)(H,151,191)(H,152,186)(H,153,175)(H,154,187)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,124,125,128)(H4,126,127,129)/t54-,55-,56-,57-,58-,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,87-,88-,89-,90-/m0/s1
InChiKey: InChIKey=GDECMUWDUOVZMK-XBUMQPJDSA-N

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