[(1R,2R,4S)-2-methoxy-4-[(2R)-2-[(5R,10S,17S,19R,21R,22R,28S,31S)-6,8,22-trihydroxy-10,21-dimethoxy-5,11,17,19,23,25-hexamethyl-2,3,4,20,26,30-hexaoxo-29-oxa-1-azabicyclo[29.4.0]pentatriaconta-11,13,15,24-tetraen-28-yl]propyl]cyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

分子结构分类

有机化合物 - 苯丙烷和聚酮 - 大环内酯内酰胺

中文名称

——

中文别名

——

英文名称

[(1R,2R,4S)-2-methoxy-4-[(2R)-2-[(5R,10S,17S,19R,21R,22R,28S,31S)-6,8,22-trihydroxy-10,21-dimethoxy-5,11,17,19,23,25-hexamethyl-2,3,4,20,26,30-hexaoxo-29-oxa-1-azabicyclo[29.4.0]pentatriaconta-11,13,15,24-tetraen-28-yl]propyl]cyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

英文别名

——

[(1R,2R,4S)-2-methoxy-4-[(2R)-2-[(5R,10S,17S,19R,21R,22R,28S,31S)-6,8,22-trihydroxy-10,21-dimethoxy-5,11,17,19,23,25-hexamethyl-2,3,4,20,26,30-hexaoxo-29-oxa-1-azabicyclo[29.4.0]pentatriaconta-11,13,15,24-tetraen-28-yl]propyl]cyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate化学式

CAS

——

化学式

C₅₆H₈₇NO₁₇

mdl

——

分子量

1046.3

InChiKey

OQWLTIUOMBVKLS-VGGXUDCXSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

5
重原子数：

74
可旋转键数：

11
环数：

3.0
sp3杂化的碳原子比例：

0.73
拓扑面积：

270
氢给体数：

5
氢受体数：

17

同类化合物

马杜霉素II 雷帕霉素长川霉素达福普丁甲磺酸西罗莫司脂化物蛎灰菌素A 子囊霉素威里霉素唑他莫司吡美莫司双氢他克莫司去甲氧基雷帕霉素化合物 T32504 化合物 T25424 依维莫司他克莫司杂质5 他克莫司31-DMT 他克莫司乌米里莫斯 FK-506一水合物 8-表他克莫司 8,9,14,15,24,25,26,26alpha-八氢-14-羟基-4,12-二甲基-3-(1-甲基乙基)-(3R,4R,5E,10E,12E,14S,26alphaR)-3H-21,18-次氮基-1H,22H-吡咯并[2,1-c][1,8,4,19]二氧杂二氮杂二十四环-1,7,16,22(4H,17H)-四酮 42-O-[2-[[羟基[2-（三甲基铵）乙氧基]亚膦酰基]氧基]乙基]雷帕霉素内盐 42-(二甲基亚膦酰)雷帕霉素 42-(2-四唑基)雷帕霉素 40-O-[2-(叔丁基二甲硅基)氧代]乙基雷帕霉素 37-去亚甲基24,33-二-O-(叔-丁基二甲基硅烷基)-37-氧代-FK-506 31-O-去甲基-Fk506 28-O-甲基-雷帕霉素 24,33-二-O-(叔-丁基二甲基硅烷基)-37,38-去氢-37,38-二羟基-FK-506 24,32-双-O-(tert-butyldimethylsilyl)-他克莫司 22-羟基-33-叔-丁基二甲基硅烷基氧基-异-FK-506 2-甲氧基-5-硝基嘧啶-4-胺 19-表FK-506 15-O-去甲基长川霉素 13-O-去甲基子囊霉素 (E/Z)-FK-50626,28-烯丙酸酯 (2S,5S,6R,10R,11S)-10-庚基-6-羟基-4,11-二甲基-5-(苯基甲基)-2-丙-2-基-1,9-二氧杂-4-氮杂环十二烷-3,8,12-三酮 (1R,2R,4S)-4-{(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-二羟基-19,30-二甲氧基-15,17,21,23,29,35-六甲基-2,3,10,14,20-五氧代-11,36-二氧杂-4-氮杂三环[30.3.1.04,9]三十六碳-16,24,26,28-四烯-12-基]丙基}-2-甲氧基环己基2,2,5-三甲基-1,3-二恶烷-5-羧酸酯 (21S)-1-aza-4,4-dimethyl-6,19-dioxa-2,3,7,20-tetraoxobicyclo<19.4.0>pentacosane CCI-779 boronate rapamycin (-)-spongedepsin (1R,9S,12SR,15R,16E,18R,19R,21R,23S,24E,26E,28E,32SR,35R)-1,18-dihydroxy-30-(3-hydroxypropoxy)-19-methoxy-12-[(1R)-2-[(1S,3R,4R)-3-methoxy-4-(3-phenylpropoxy)cyclohexyl]-1-methylethyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^4,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone rapamycin 42-hemiadipate Rapamycin 42-ester with 4-methylpiperazine-1-carboxylic acid rapamycin O-[(S)-2,3-dihydroxypropyloxycarbonyl]rapamycin 29-epirapamycin 40-O-tert-butyldimethylsilyl rapamycin

[(1R,2R,4S)-2-methoxy-4-[(2R)-2-[(5R,10S,17S,19R,21R,22R,28S,31S)-6,8,22-trihydroxy-10,21-dimethoxy-5,11,17,19,23,25-hexamethyl-2,3,4,20,26,30-hexaoxo-29-oxa-1-azabicyclo[29.4.0]pentatriaconta-11,13,15,24-tetraen-28-yl]propyl]cyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

分子结构分类

计算性质

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