(+)-yatakemycin | 606136-98-5

分子结构分类

有机化合物 - 有机杂环化合物 - 吲哚及其衍生物

中文名称

——

中文别名

——

英文名称

(+)-yatakemycin

英文别名

yatakemycin；YTM；S-methyl 5-hydroxy-6-[(1R,12S)-10-(5-hydroxy-6-methoxy-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbothioate

CAS

606136-98-5

化学式

C₃₅H₂₉N₅O₈S

mdl

——

分子量

679.71

InChiKey

CMFSXTISUXTEGX-QXPWRNTLSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

>220 °C (decomp)
密度：

1.72±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4
重原子数：

49
可旋转键数：

6
环数：

9.0
sp3杂化的碳原子比例：

0.26
拓扑面积：

206
氢给体数：

5
氢受体数：

9

SDS

SDS：45f3108415d650968bf4eee48ac58560

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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
——	(-)-methyl 3-[(8S)-4-benzyloxy-6-(5-benzyloxy-6-methoxy-1H-indol-2-yl)carbonyl-6,7,8,9-tetrahydro-8-methanesulfonyloxy-3H-pyrrolo[3,2-f]quinoline-2-yl]carbonyl-4-hydroxy-5-methoxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-thiocarboxylate	898530-69-3	C₅₀H₄₅N₅O₁₁S₂	956.066
——	(-)-[(8S)-4-benzyloxy-3-benzyloxycarbonyl-2-methoxycarbonyl-8,9-dihydro-8-(tert-butyldimethylsilyloxy)pyrrolo[3,2-f]quinolin-6(7H)-yl](5-benzyloxy-6-methoxy-1H-indol-2-yl)methanone	898530-67-1	C₅₁H₅₃N₃O₉Si	880.082
——	benzyl 3-(o-nitrobenzenesulfonyl)-4,5-dimethoxy-6-benzyloxycarbonyl-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	898530-65-9	C₃₄H₂₉N₃O₁₀S	671.684
——	seco-yatakemycin	736138-15-1	C₃₅H₃₀ClN₅O₈S	716.171
——	seco-yatakemycin	919535-17-4	C₃₅H₃₁N₅O₉S	697.725
——	(-)-(8S)-4-benzyloxy-6-(5-benzyloxy-6-methoxy-1H-indol-2-yl)carbonyl-6,7,8,9-tetrahydro-8-methanesulfonyloxy-3H-pyrrolo[3,2-f]quinoline-2-carboxylic acid	898530-68-2	C₃₇H₃₃N₃O₉S	695.75
——	(Z)-3-[N-(o-nitrobenzenesulfonyl)-5-bromo-6,7-dimethoxyindolin-4-yl]-2-benzyloxycarbonylaminoacrylic acid methyl ester	898530-64-8	C₃₄H₃₀BrN₃O₁₀S	752.596
——	methyl 3-[(5-hydroxy-6-methoxyindol-2-yl)carbonyl]-(1S)-(chloromethyl)-5-benzyloxy-1,2-dihydro-3H-pyrrole[3,2-e]indole-7-carboxylate	736138-12-8	C₃₀H₂₆ClN₃O₆	560.006
——	methyl (S)-5-benzyloxy-3,6-bis(tert-butoxycarbonyl)-1-(chloromethyl)-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	736138-02-6	C₃₀H₃₅ClN₂O₇	571.07
——	3-[(5-hydroxy-6-methoxyindol-2-yl)carbonyl]-(1S)-(chloromethyl)-5-benzyloxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylic acid	736138-13-9	C₂₉H₂₄ClN₃O₆	545.979
——	methyl 3-(9H-fluoren-9-yl)methoxycarbonyl-4-hydroxy-5-methoxy-1,2-dihydro-6H-pyrrolo[3,2-e]indole-7-thiocarboxylate	898530-52-4	C₂₈H₂₄N₂O₅S	500.575
——	methyl (S)-4,7-di-tert-butoxycarbonyl-6-benzyloxy-2-hydroxy-1,2,3,4-tetrahydropyrrolo[3,2-f]quinoline-8-carboxylate	919535-08-3	C₃₀H₃₆N₂O₈	552.624
——	3-[(5-hydroxy-6-methoxyindol-2-yl)carbonyl]-(1S)-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylic acid	736138-14-0	C₂₂H₁₈ClN₃O₆	455.854
——	methyl 2-(7-benzyloxy-5-((tert-butyloxy)carbonyl)amino-2-hydroxy-6-methoxy-1-(p-toluenesulfonyl)indolin-4-yl)acetate	736137-93-2	C₃₁H₃₆N₂O₉S	612.701
——	(+)-(S)-3-benzyl-2-methyl-4-benzyloxy-6,7,8,9-tetrahydro-8-(tert-butyldimethylsilyloxy)pyrrolo[3,2-f]quinoline-2,3-dicarboxylate	898530-51-3	C₃₄H₄₀N₂O₆Si	600.787
——	methyl 4-benzyloxy-3-[(tert-butyloxy)carbonyl]-5-methoxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	736138-09-3	C₂₅H₂₈N₂O₆	452.507
——	methyl (S)-4,7-di-tert-butoxycarbonyl-2,6-dihydroxy-1,2,3,4-tetrahydropyrrolo[3,2-f]quinoline-8-carboxylate	919535-09-4	C₂₃H₃₀N₂O₈	462.5
——	methyl 3-((tert-butyloxy)carbonyl)-4-hydroxy-5-methoxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-thiocarboxylate	736138-10-6	C₁₈H₂₂N₂O₅S	378.449
——	N-(o-nitrobenzenesulfonyl)-4-hydroxymethyl-5-bromo-6,7-dimethoxyindoline	898530-62-6	C₁₇H₁₇BrN₂O₇S	473.301
——