(3aR,6aR)-6S-(6-fluoro-1H-indol-3-yl)-octahydro-pyrrolo[3,2-b]pyrrole-1,3,4-tricarboxylic acid 1-benzyl ester 4-tert-butyl ester | 1218936-08-3

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

(3aR,6aR)-6S-(6-fluoro-1H-indol-3-yl)-octahydro-pyrrolo[3,2-b]pyrrole-1,3,4-tricarboxylic acid 1-benzyl ester 4-tert-butyl ester

英文别名

(3aR,6aR)-(6S)-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid tert-butyl ester；(3aR,6aR)-6S-(6-fluroro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid tert-butyl ester；(3aR,6aR)-6S-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid tert-butyl ester；4-O-benzyl 1-O-tert-butyl (3aR,6S,6aR)-6-(6-fluoro-1H-indol-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-1,4-dicarboxylate

(3aR,6aR)-6S-(6-fluoro-1H-indol-3-yl)-octahydro-pyrrolo[3,2-b]pyrrole-1,3,4-tricarboxylic acid 1-benzyl ester 4-tert-butyl ester化学式

CAS

1218936-08-3

化学式

C₂₇H₃₀FN₃O₄

mdl

——

分子量

479.551

InChiKey

PAAPXHQEOBNNSW-GMKZXUHWSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.5
重原子数：

35
可旋转键数：

6
环数：

5.0
sp3杂化的碳原子比例：

0.41
拓扑面积：

74.9
氢给体数：

1
氢受体数：

5

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	(2R)-[2-benzyloxycarbonylamino-(1S)-(6-fluoro-1H-indol-3-yl)-ethyl]-(3S)-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester	1218929-66-8	C₂₇H₃₂FN₃O₅	497.567
——	(2R)-[2-benzyloxycarbonylamino-(1S)-(6-fluoro-1H-indol-3-yl)-ethyl]-(3S)-(tert-butyl-dimethyl-silanyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester	1218929-65-7	C₃₃H₄₆FN₃O₅Si	611.829
——	(2R)-[2-benzyloxycarbonylamino-(1S)-(6-fluoro-1H-indol-3-yl)-ethyl]-(3S)-methanesulfonyloxy-pyrrolidine-1-carboxylic acid tert-butyl ester	1218929-68-0	C₂₈H₃₄FN₃O₇S	575.658
——	(2R)-[2-amino-(1S)-(6-fluoro-indol-3-yl)-ethyl]-(3S)-(tert-butyl-dimethyl-silanyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester	1218929-64-6	C₂₅H₄₀FN₃O₃Si	477.695
——	(3S)-(tert-butyl-dimethyl-silanyloxy)-(2R)-[(1R)-(6-fluoro-indol-3-yl)-2-nitro-ethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester	1218929-62-4	C₂₅H₃₈FN₃O₅Si	507.678

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester	1218930-03-0	C₂₂H₂₂FN₃O₂	379.434
——	4-(2-tert-butoxycarbonylamino-2-cyclohexyl-acetyl)-3-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester	1218930-17-6	C₃₅H₄₃FN₄O₅	618.749
——	4-(2-amino-3-tert-butoxy-butyryl)-3-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester	1218930-06-3	C₃₀H₃₇FN₄O₄	536.647
——	4-{2-[2-(benzyloxycarbonyl-methyl-amino)-propionylamino]-3-hydroxy-butyryl}-3-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester	1218930-08-5	C₃₈H₄₂FN₅O₇	699.779
——	4-(2-amino-2-cyclohexyl-acetyl)-3-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid methyl ester	1218930-20-1	C₂₄H₃₁FN₄O₃	442.534
——	4-(3-tert-butoxy-2-tert-butoxycarbonylamino-butyryl)-3-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester	1218930-04-1	C₃₅H₄₅FN₄O₆	636.764
——	4-(2-tert-butoxycarbonylamino-2-cyclohexyl-acetyl)-3-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid methyl ester	1218930-19-8	C₂₉H₃₉FN₄O₅	542.651
——	4-{2-[2-(benzyloxycarbonyl-methyl-amino)-propionylamino]-3-tert-butoxy-butyryl}-3-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester	1218930-07-4	C₄₂H₅₀FN₅O₇	755.887
——	{2-[4-acetyl-6-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxo-ethyl}-carbamic acid tert-butyl ester	1218930-48-3	C₂₉H₃₉FN₄O₄	526.651
——	6-(6-fluoro-1H-indol-3-yl)-4-pyrimidin-2-yl-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid tert-butyl ester	1218930-68-7	C₂₃H₂₆FN₅O₂	423.49
——	{1-cyclohexyl-2-[4-cyclopropanecarbonyl-6-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester	1218930-29-0	C₃₁H₄₁FN₄O₄	552.689
——	{1-cyclohexyl-2-[6-(6-fluoro-1H-indol-3-yl)-4-phenylacetyl-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester	1218930-27-8	C₃₅H₄₃FN₄O₄	602.749
——	[4-(2-tert-butoxycarbonylamino-2-cyclohexyl-acetyl)-3-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-acetic acid ethyl ester	1218930-31-4	C₃₁H₄₃FN₄O₅	570.705
——	{1-cyclohexyl-2-[6-(6-fluoro-1H-indol-3-yl)-4-(2,2,2-trifluoro-acetyl)-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester	1218930-23-4	C₂₉H₃₆F₄N₄O₄	580.623
——	2-amino-1-[4-(2-amino-2-cyclohexyl-acetyl)-6-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-2-cyclohexyl-ethanone	1218931-36-2	C₃₀H₄₂FN₅O₂	523.694
——	{2-[4-benzoyl-6-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxo-ethyl}-carbamic acid tert-butyl ester	1218930-25-6	C₃₄H₄₁FN₄O₄	588.722
——	N-{1-cyclohexyl-2-[4-[2-cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-6-(6-fluoro-1H-indol-3-yl)-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-2-oxo-ethyl}-2-methylamino-propionamide	1218931-34-0	C₃₈H₅₆FN₇O₄	693.906
——	{1-[6-(6-fluoro-1H-indol-3-yl)-4-pyrimidin-2-yl-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester	1218930-70-1	C₂₈H₃₅FN₆O₃	522.623
——	(1-{1-[6-(6-fluoro-1H-indol-3-yl)-4-pyrimidin-2-yl-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl]-2-methyl-propylcarbamoyl}-ethyl)-methyl-carbamic acid tert-butyl ester	1218930-72-3	C₃₂H₄₂FN₇O₄	607.728
——	{1-cyclohexyl-2-[6-(6-fluoro-1H-indol-3-yl)-4-pyrimidin-2-yl-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester	1218930-65-4	C₃₁H₃₉FN₆O₃	562.687
——	{1-cyclohexyl-2-[6-(6-fluoro-1H-indol-3-yl)-4-methanesulfonyl-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester	1218930-34-7	C₂₈H₃₉FN₄O₅S	562.706
——	2-amino-1-[6-(6-fluoro-1H-indol-3-yl)-4-pyrimidin-2-yl-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-butan-1-one	1218930-71-2	C₂₃H₂₇FN₆O	422.505
——	N-{1-[6-(6-fluoro-1H-indol-3-yl)-4-pyrimidin-2-yl-hexahydro-pyrrolo[3,2-b]p