LINKER XHO I, PHOSPHORYLATED

CAS号
CCD编号
CCD00098632
分子式
C96H122N39O58P9
分子量
3029.0

基本信息

产品名称: LINKER XHO I, PHOSPHORYLATED
英文同义词: XHO I LINKER ; LINKER XHO I, PHOSPHORYLATED
MDL号: MFCD00214204
氢键受体数量: 97
氢键供体数量: 25
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]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=NC4=C3N=C(N)NC4=O)N3C=NC4=C3N=C(N)NC4=O)N3C=NC4=C3N=CN=C4N)N3C=NC4=C3N=C(N)NC4=O)N3C=CC(N)=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]3CO)N3C=CC(N)=NC3=O)N3C=CC(N)=NC3=O)N3C=CC(N)=NC3=O)O2)C(=O)NC1=O
InChi: InChI=1S/C96H122N39O58P9/c1-37-20-130(96(147)125-83(37)138)67-15-43(53(180-67)26-170-197(154,155)187-41-13-65(128-8-4-60(99)115-94(128)145)178-51(41)24-168-196(152,153)186-40-12-64(127-7-3-59(98)114-93(127)144)177-50(40)23-167-195(150,151)185-39-11-63(175-48(39)21-136)126-6-2-58(97)113-92(126)143)189-199(158,159)169-25-52-42(14-66(179-52)129-9-5-61(100)116-95(129)146)188-198(156,157)172-29-56-46(18-70(183-56)134-35-111-75-81(134)119-90(104)123-86(75)141)192-201(162,163)171-27-54-44(16-68(181-54)131-32-108-72-77(101)106-31-107-78(72)131)191-200(160,161)173-30-57-47(19-71(184-57)135-36-112-76-82(135)120-91(105)124-87(76)142)193-202(164,165)174-28-55-45(17-69(182-55)133-34-110-74-80(133)118-89(103)122-85(74)140)190-194(148,149)166-22-49-38(137)10-62(176-49)132-33-109-73-79(132)117-88(102)121-84(73)139/h2-9,20,31-36,38-57,62-71,136-137H,10-19,21-30H2,1H3,(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)(H2,97,113,143)(H2,98,114,144)(H2,99,115,145)(H2,100,116,146)(H2,101,106,107)(H,125,138,147)(H3,102,117,121,139)(H3,103,118,122,140)(H3,104,119,123,141)(H3,105,120,124,142)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+/m0/s1
InChiKey: InChIKey=MXWSSMNVOPNRBQ-VWTKRNALSA-N

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