(2R,3R,4S,5S,6R)-2-[(2S,3aS,7aS)-1-[2-(1-carboxypropylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
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![(2R,3R,4S,5S,6R)-2-[(2S,3aS,7aS)-1-[2-(1-carboxypropylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/013d983700d34d589c8281b4b293cca6.png "(2R,3R,4S,5S,6R)-2-[(2S,3aS,7aS)-1-[2-(1-carboxypropylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid")
(2R,3R,4S,5S,6R)-2-[(2S,3aS,7aS)-1-[2-(1-carboxypropylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
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CAS No:
120381-56-8
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Formula:
C23H36N2O11
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Chemical Name:
(2R,3R,4S,5S,6R)-2-[(2S,3aS,7aS)-1-[2-(1-carboxypropylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
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Synonyms:
Perindoprilat glucuronide;beta-D-Glucopyranuronic acid, 1-(1-(2-((1-carboxybutyl)amino)-1-oxopropyl)octahydro-1H-indole-2-carboxylate), (2S-(1(R*(R*)),2alpha,3abeta,7abeta))-
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CAS No:
(2R,3R,4S,5S,6R)-2-[(2S,3aS,7aS)-1-[2-(1-carboxypropylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid Basic Attributes
516.5 g/mol
516.23190997 g/mol
Computed Properties
Molecular Weight:516.5
XLogP3:-1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:516.23190997
Monoisotopic Mass:516.23190997
Topological Polar Surface Area:203
Heavy Atom Count:36
Complexity:869
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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