(2S)-1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
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![(2S)-1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0ab7f60e50a2413e97a5a3bf7f32c680.png "(2S)-1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid")
(2S)-1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
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CAS No:
29820-40-4
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Formula:
C18H18I4N2O6
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Chemical Name:
(2S)-1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
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Synonyms:
29820-40-4;BRN 0504482;1-(4-(((2-Carboxybutyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)proline;Proline, 1-(4-(((2-carboxybutyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-;alpha-(4-(2-Carboxy-pyrrolidino)-carbonyl-2,3,5,6-tetrajod-benzoyl-amidomethyl)-buttersaure;DTXSID40952256;1-(4-{[(2-Carboxybutyl)imino](hydroxy)methyl}-2,3,5,6-tetraiodobenzoyl)proline
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CAS No:
(2S)-1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid Basic Attributes
866.0 g/mol
865.7344 g/mol
Computed Properties
Molecular Weight:866.0
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:865.7344
Monoisotopic Mass:865.7344
Topological Polar Surface Area:124
Heavy Atom Count:30
Complexity:680
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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