allyl (((2S,8R,9R)-14-((((9H-fIuoren-9-yl)methoxy)carbonyl)amino)-11-((S)-1-hydroxypropan-2-yl)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)(methyl)carbamate | 1255214-08-4

分子结构分类

有机化合物 - 苯类化合物 - 芴

中文名称

——

中文别名

——

英文名称

allyl (((2S,8R,9R)-14-((((9H-fIuoren-9-yl)methoxy)carbonyl)amino)-11-((S)-1-hydroxypropan-2-yl)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)(methyl)carbamate

英文别名

——

allyl (((2S,8R,9R)-14-((((9H-fIuoren-9-yl)methoxy)carbonyl)amino)-11-((S)-1-hydroxypropan-2-yl)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)(methyl)carbamate化学式

CAS

1255214-08-4

化学式

C₄₁H₅₁N₃O₈

mdl

——

分子量

713.871

InChiKey

KVAYCLTWSPGMMY-MWBBNKDSSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

7.1
重原子数：

52.0
可旋转键数：

9.0
环数：

5.0
sp3杂化的碳原子比例：

0.44
拓扑面积：

126.87
氢给体数：

2.0
氢受体数：

8.0

上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(S)-2-((2S,8R,9R)-14-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-8-((((allyloxy)carbonyl)(methyl)amino)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate	1353557-59-1	C₄₈H₅₅N₃O₉	817.979
——	allyl (((2S,8R,9R)-14-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-11-((S)-1-((tert-butyldimethylsilyl)oxy)propan-2-yl)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)(methyl)carbamate	1353557-58-0	C₄₇H₆₅N₃O₈Si	828.134
——	(S)-2-((2S,8R,9R)-14-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-3,4,5,6,9,10-hexahydrobenzo[b][1.9.5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate	1353557-63-7	C₅₀H₅₄FN₃O₉S	892.058
——	((2S,8R,9R)-11-((S)-1-((tert-butyldimethylsilyl)oxy)propan-2-yl)-8-((4-fluoro-N-methylphenylsulfonamido)methyl)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-14-yl)carbamate	1403481-77-5	C₄₉H₆₄FN₃O₈SSi	902.212
——	(S)-2-((2S,8R,9R)-8-((((allyloxy)carbonyl)(methyl)amino)methyl)-2,9-dimethyl-12-oxo-14-(3-phenylureudo)-3,4,5,6,9,10-hexahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-11(2H,8H,12H)-yl)propyl benzoate	1353557-61-5	C₄₀H₅₀N₄O₈	714.859
——	allyl (((2S,8R,9R)-11-((S)-1-((tert-butyldimethylsilyl)oxy)propan-2-yl)-2,9-dimethyl-12-oxo-14-(3-phenylureido)-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)(methyl)carbamate	1353557-60-4	C₃₉H₆₀N₄O₇Si	725.014
——	N-{[(2S,8R,9R)-11-[(2S)-1-hydroxypropan-2-yl]-2,9-dimethyl-12-oxo-14-[(phenylcarbamoyl)amino]-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxazacyclotetradecin-8-yl]methyl}-N-methylcarbamate	1403479-28-6	C₃₇H₄₈N₄O₇	660.811
——	3-[(2S,8R,9R)-8-({[(4-fluorophenyl)methyl](methyl)amino}methyl)-11-[(2S)-1-hydroxypropan-2-yl]-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxaazacyclotetradecin-14-yl]-1-phenylurea	1353557-43-3	C₃₆H₄₇FN₄O₅	634.791
——	3-[(2S,8S,9R)-11-[(2S)-1-hydroxypropan-2-yl]-2,9-dimethyl-8-[(methylamino)methyl]-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxazacyclotetradecin-14-yl]-1-phenylurea	1255398-87-8	C₂₉H₄₂N₄O₅	526.676
——	(S)-2-((2S,8R,9R)-2,9-dimethyl-8-((methylamino)methyl)-12-oxo-14-(3-phenylureido)-3,4,5,6,9,10-hexahydro-2H,8H-benzo[b][1,9]dioxa[5]azacyclotetradecin-11(12H)-yl)propyl benzoate	1353557-62-6	C₃₆H₄₆N₄O₆	630.784
——	N-[(2S,8R,9R)-11-[(2S)-1-hydroxypropan-2-yl]-2,9-dimethyl-8-{[N-methyl(4-fluorobenzene)sulfonamido]methyl}-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxazacyclotetradecin-14-yl]acetamide	1403479-30-0	C₃₀H₄₂FN₃O₇S	607.744
——	(2S)-2-[(2S,8R,9R)-2,9-dimethyl-8-[(N-methyl(4-fluorobenzene)sulfonamido)methyl]-12-oxo-14-[(phenylcarbamoyl)amino]-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxaazacyclotetradecin-11-yl]propyl 2,2-dimethylpropanoate	1353557-48-8	C₄₀H₅₃FN₄O₈S	768.947
——	3-[(2S,8R,9R)-11-[(2S)-1-methoxypropan-2-yl]-2,9-dimethyl-8-{[N-methyl(4-fluorobenzene)sulfonamido]methyl}-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxazacyclotetradecin-14-yl]-1-phenylurea	1403479-53-7	C₃₆H₄₇FN₄O₇S	698.856
——	3-[(2S,8R,9R)-11-[(S)-1-(methoxymethyl)propan-2-yl]-2,9-dimethyl-8-[(N-methyl(4-fluorobenzene)sulfonamido)methyl]-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxaazacyclotetradecin-14-yl]-1-phenylurea	1353557-50-2	C₃₇H₄₉FN₄O₈S	728.882
——	3-[(2S,8R,9R)-11-((S)-1-hydroxypropan-2-yl)-2,9-dimethyl-8-[(N-methylpyperidine-3-sulfonamido)methyl]-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxaazacyclotetradecin-14-yl]-1-phenylurea	1353557-42-2	C₃₄H₄₅N₅O₇S	667.827
——	3-[(2S,8R,9R)-11-((S)-1-hydroxypropan-2-yl)-2,9-dimethyl-8-[(N-methyl(4-fluorobenzene)sulfonamido)methyl]-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxaazacyclotetradecin-14-yl]-1-phenylurea	1255397-71-7	C₃₅H₄₅FN₄O₇S	684.829
——	(2S)-2-[(2S,8R,9R)-2,9-dimethyl-8-[(N-methyl(4-fluorobenzene)sulfonamido)methyl]-12-oxo-14-[(phenylcarbamoyl)amino]-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxaazacyclotetradecin-11-yl]propyl benzoate	1353557-49-9	C₄₂H₄₉FN₄O₈S	788.937
——	2-fluoro-N-(((2S,8R,9R)-11-((S)-1-hydroxypropan-2-yl)-2,9-dimethyl-12-oxo-14-(3-phenylureudo)-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-N-methylbenzenesulfonamide	1353557-40-0	C₃₅H₄₅FN₄O₇S	684.829
——	(2S)-2-[(2S,8R,9R)-2,9-dimethyl-8-{[N-methyl(4-fluorobenzene)sulfonamido]methyl}-12-oxo-14-[(phenylcarbamoyl)amino]-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxazacyclotetradecin-11-yl]propyl 4-methylbenzene-1-sulfonate	1403479-58-2	C₄₂H₅₁FN₄O₉S₂	839.019
——	3-[(2S,8R,9R)-2,9-dimethyl-8-{[N-methyl(4-fluorobenzene)sulfonamido]methyl}-12-oxo-11-[(2S)