基本信息 |
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| 产品名称： | ECOR I LINKER |
| 英文同义词： | ECOR I LINKER ; LINKER ECOR I, PHOSPHORYLATED |
| MDL号： | MFCD00214014 |
| 氢键受体数量： | 96 |
| 氢键供体数量： | 24 |
| Smile： | CC1=CN([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)N3C=CC(N)=NC3=O)N3C=CC(N)=NC3=O)N3C=C(C)C(=O)NC3=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)N3C=CC(N)=NC3=O)N3C=NC4=C3N=C(N)NC4=O)N3C=NC4=C3N=C(N)NC4=O)N3C=NC4=C3N=CN=C4N)N3C=NC4=C3N=CN=C4N)O2)C(=O)NC1=O |
| InChi： | InChI=1S/C97H123N38O58P9/c1-38-19-129(96(146)124-85(38)138)67-13-44(188-197(154,155)169-24-53-43(12-66(178-53)128-8-5-62(100)117-95(128)145)187-196(152,153)168-23-52-42(11-65(177-52)127-7-4-61(99)116-94(127)144)186-194(148,149)166-22-51-40(137)9-63(176-51)133-35-112-75-82(133)118-90(103)121-87(75)140)54(179-67)25-170-198(156,157)189-45-14-68(130-20-39(2)86(139)125-97(130)147)180-55(45)26-171-199(158,159)190-46-15-69(131-33-110-73-78(101)106-31-108-80(73)131)181-56(46)27-172-200(160,161)191-47-16-70(132-34-111-74-79(102)107-32-109-81(74)132)182-57(47)28-173-201(162,163)193-49-18-72(135-37-114-77-84(135)120-92(105)123-89(77)142)184-59(49)30-174-202(164,165)192-48-17-71(134-36-113-76-83(134)119-91(104)122-88(76)141)183-58(48)29-167-195(150,151)185-41-10-64(175-50(41)21-136)126-6-3-60(98)115-93(126)143/h3-8,19-20,31-37,40-59,63-72,136-137H,9-18,21-30H2,1-2H3,(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H2,98,115,143)(H2,99,116,144)(H2,100,117,145)(H2,101,106,108)(H2,102,107,109)(H,124,138,146)(H,125,139,147)(H3,103,118,121,140)(H3,104,119,122,141)(H3,105,120,123,142)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+/m0/s1 |
| InChiKey： | InChIKey=HVDSASQVOXPAQA-HTNUFCOESA-N |
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