基本信息 |
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产品名称: | MYR-LHQRRGAIKQAKVHHVKC-NH2 |
英文同义词: | MYR-LHQRRGAIKQAKVHHVKC-NH2 |
MDL号: | MFCD03452704 |
氢键受体数量: | 57 |
氢键供体数量: | 33 |
Smile: | CCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N |
InChi: | InChI=1S/C106H186N36O21S/c1-12-14-15-16-17-18-19-20-21-22-23-24-38-83(145)128-76(48-60(3)4)98(157)136-77(49-66-52-117-57-123-66)99(158)133-75(40-42-82(111)144)96(155)131-73(37-32-47-121-106(115)116)94(153)130-69(36-31-46-120-105(113)114)91(150)122-55-84(146)126-64(10)90(149)142-87(63(9)13-2)104(163)135-70(33-25-28-43-107)93(152)132-74(39-41-81(110)143)92(151)127-65(11)89(148)129-72(35-27-30-45-109)97(156)140-86(62(7)8)103(162)138-78(50-67-53-118-58-124-67)100(159)137-79(51-68-54-119-59-125-68)101(160)141-85(61(5)6)102(161)134-71(34-26-29-44-108)95(154)139-80(56-164)88(112)147/h52-54,57-65,69-80,85-87,164H,12-51,55-56,107-109H2,1-11H3,(H2,110,143)(H2,111,144)(H2,112,147)(H,117,123)(H,118,124)(H,119,125)(H,122,150)(H,126,146)(H,127,151)(H,128,145)(H,129,148)(H,130,153)(H,131,155)(H,132,152)(H,133,158)(H,134,161)(H,135,163)(H,136,157)(H,137,159)(H,138,162)(H,139,154)(H,140,156)(H,141,160)(H,142,149)(H4,113,114,120)(H4,115,116,121)/t63-,64-,65-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,85-,86-,87-/m0/s1 |
InChiKey: | InChIKey=NDYLENNPNJAZOY-RJNNOGFJSA-N |
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