glutamic acid CDCA amide | 892403-44-0
分子结构分类
中文名称
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中文别名
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英文名称
glutamic acid CDCA amide
英文别名
glu-CDCA
CAS
892403-44-0
化学式
C36H53NO7
mdl
——
分子量
611.819
InChiKey
MBOBPGRODXGOKT-FJDOYGHDSA-N
BEILSTEIN
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EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：784.9±60.0 °C(Predicted)
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密度：1.182±0.06 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：5.49
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重原子数：44.0
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可旋转键数：11.0
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环数：5.0
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sp3杂化的碳原子比例：0.75
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拓扑面积：133.16
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氢给体数：4.0
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氢受体数：6.0
上下游信息
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下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— benzyl N2-((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)-N5-((1-(2-methoxy-2-oxoethyl)cyclohexyl)methyl)-L-glutaminate 1276583-63-1 C46H70N2O8 779.07 —— benzyl N5-((1-(2-(benzyloxy)-2-oxoethyl)cyclohexyl)methyl)-N2-((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)-L-glutaminate 1276583-78-8 C52H74N2O8 855.168 —— benzyl (2S)-5-anilino-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-oxopentanoate 1232145-73-1 C42H58N2O6 686.932 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-(4-methylanilino)-5-oxopentanoate 1232145-81-1 C43H60N2O6 700.959 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-(4-fluoroanilino)-5-oxopentanoate 1232145-78-6 C42H57FN2O6 704.923 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-(3-methylanilino)-5-oxopentanoate 1232145-80-0 C43H60N2O6 700.959 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-(4-methoxyanilino)-5-oxopentanoate 1232145-84-4 C43H60N2O7 716.959 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-oxo-5-[4-(trifluoromethyl)anilino]pentanoate 1232145-75-3 C43H57F3N2O6 754.931 —— benzyl (2S)-5-(4-tert-butylanilino)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-oxopentanoate 1232145-87-7 C46H66N2O6 743.04 —— methyl 4-[[(4S)-4-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]benzoate 1232145-90-2 C44H60N2O8 744.969 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-(3-fluoroanilino)-5-oxopentanoate 1232145-77-5 C42H57FN2O6 704.923 —— ethyl 4-[[(4S)-4-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]benzoate 1232145-92-4 C45H62N2O8 758.996 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-(2-methylanilino)-5-oxopentanoate 1232145-79-7 C43H60N2O6 700.959 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-(3-methoxyanilino)-5-oxopentanoate 1232145-83-3 C43H60N2O7 716.959 —— benzyl (2S)-5-(3-tert-butylanilino)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-oxopentanoate 1232145-86-6 C46H66N2O6 743.04 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-(2-fluoroanilino)-5-oxopentanoate 1232145-76-4 C42H57FN2O6 704.923 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-5-oxopentanoate 1232145-93-5 C47H67N3O8 802.064 —— methyl 3-[[(4S)-4-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]benzoate 1232145-89-9 C44H60N2O8 744.969 —— benzyl (2S)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-(2-methoxyanilino)-5-oxopentanoate 1232145-82-2 C43H60N2O7 716.959 —— benzyl (2S)-5-(2-tert-butylanilino)-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-5-oxopentanoate 1232145-85-5 C46H66N2O6 743.04