(2Z,4E)-6-[[6-[(2S)-4-[[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxo-hexyl]amino]-3-chloro-2-[(E)-2-chloro-1-(2,4,5,7-tetrachloro-3-hydroxy-6-oxo-xanthen-9-yl)vinyl]-6-oxo-hexa-2,4-dienoic acid

化合物标识与属性

PubChem CID

71596332

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)OP(=O)(C7C[C@H](N(C7)C(=O)CCCCCNC(=O)/C=C/C(=C(\C(=C\Cl)\C8=C9C=C(C(=O)C(=C9OC1=C(C(=C(C=C81)Cl)O)Cl)Cl)Cl)/C(=O)O)/Cl)CO)O)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)O

Canonical SMILES

Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)OP(=O)(O)C3C[C@@H](CO)N(C(=O)CCCCCNC(=O)/C=C/C(Cl)=C(C(=O)O)\C(=C\Cl)c4c5cc(Cl)c(=O)c(Cl)c-5oc5c(Cl)c(O)c(Cl)cc45)C3)O2)c(=O)[nH]c1=O