2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-N-[(9,10-dihydroxy-16-methoxy-4-methyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-18-yl)oxycarbonyl]-5-nitroanilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[2-[2-[[1-[2-[2-[2-[2-[[1-[[1-[(1-carbamimidoyl-2-hydroxypiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[2-[[2-[methyl(2-piperidin-1-ylethyl)amino]acetyl]amino]ethoxy]ethoxy]ethyl-(3-phosphonopropyl)amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-methylazaniumyl]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethyl-(phosphonooxymethyl)azanium

分子结构分类

有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物

中文名称

——

中文别名

——

英文名称

2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-N-[(9,10-dihydroxy-16-methoxy-4-methyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-18-yl)oxycarbonyl]-5-nitroanilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[2-[2-[[1-[2-[2-[2-[2-[[1-[[1-[(1-carbamimidoyl-2-hydroxypiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[2-[[2-[methyl(2-piperidin-1-ylethyl)amino]acetyl]amino]ethoxy]ethoxy]ethyl-(3-phosphonopropyl)amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-methylazaniumyl]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethyl-(phosphonooxymethyl)azanium

英文别名

——

2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-N-[(9,10-dihydroxy-16-methoxy-4-methyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-18-yl)oxycarbonyl]-5-nitroanilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[2-[2-[[1-[2-[2-[2-[2-[[1-[[1-[(1-carbamimidoyl-2-hydroxypiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[2-[[2-[methyl(2-piperidin-1-ylethyl)amino]acetyl]amino]ethoxy]ethoxy]ethyl-(3-phosphonopropyl)amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-methylazaniumyl]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethyl-(phosphonooxymethyl)azanium化学式

CAS

——

化学式

C166H254ClN31O68P4S3+2

mdl

——

分子量

4028.0

InChiKey

NKPQMIARRPHDPW-UHFFFAOYSA-P

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-18.3
重原子数：

273
可旋转键数：

133
环数：

12.0
sp3杂化的碳原子比例：

0.61
拓扑面积：

1390
氢给体数：

29
氢受体数：

80

同类化合物

黄素酰色氨酸高蝶酸骏河毒素酵母粉诺米林酸17-β-D-吡喃葡萄糖苷蝶酸蝶啶3-氧化物蝶啶-6-基-甲醇蝶啶-4,6-二胺蝶啶-2,4-二胺蝶呤-6-羧酸苯癸酸,2-羟基-3,4-二甲氧基-6-甲基苯并[g]蝶啶-4a(2H)-基,5-乙基-3,4,5,10-四氢-3,7,8,10-四甲基-2,4-二羰基- 苯并[g]蝶啶-2,4(1H,3H)-二酮,5-乙酰基-5,10-二氢-1,3-二甲基- 苯并[g]蝶啶-2,4(1H,3H)-二酮,5,10-二氢-7,8-二甲基- 苯并[g]蝶啶-2,4(1H,3H)-二酮,1,7,8-三甲基- 羧甲基黄素羟基-2-吡啶酮维生素 B2 维他命 B2 硫酸氢3-(6,7-二氯-2,4-二羰基-3,4-二氢苯并[g]蝶啶-10(2H)-基)-N-乙基-N-(2-羟基乙基)丙烷-1-铵硫酸氢2-(7,8-二氯-2,4-二羰基-3,4-二氢苯并[g]蝶啶-10(2H)-基)-N,N-二甲基乙铵甲氨蝶呤钠甲氨蝶呤杂质1 生物蝶呤-d3 生物喋呤中间体环己烯,3-氟-4-(甲硫基)-,反-(9CI) 玫瑰黄色素溴化氢溴化1-(2-氨基乙基)-3-甲基-4-[(Z)-2-萘-1-基乙烯基]吡啶正离子氯化3-(7-氯-2,4-二羰基-3,4-二氢苯并[g]蝶啶-10(2H)-基)-N,N-二甲基丙烷-1-铵氨蝶呤钠氨苯蝶啶氨甲酸,[(1S)-2-羟基-1-甲基丙基]-,1,1-二甲基乙基酯(9CI) 氨甲蝶呤氨基蝶呤核黄素还原核黄素杂质Q 核黄素5'-硫酸盐核黄素3′,4′-二磷酸酯核黄素-4'-磷酸核黄素-3'-磷酸盐核黄素,2',3',4',5'-四乙酸酯核黄素 5'-丁酸酯核黄素无色喋呤异黄蝶呤己二酸,2-[[4-[[(2-氨基-1,4,5,6,7,8-六氢-4-羰基-6-蝶啶基)甲基]氨基]苯甲酰]氨基]- 左亚叶酸钙杂质左亚叶酸钙四氢蝶酰五谷氨酸酯

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