(2S)-1-[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]pyrrolidine-2-carboxylic acid
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![(2S)-1-[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]pyrrolidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/687066bdd7b942b2bb3dbff5b9f140ce.png "(2S)-1-[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]pyrrolidine-2-carboxylic acid")
(2S)-1-[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]pyrrolidine-2-carboxylic acid
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CAS No:
30743-29-4
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Formula:
C22H28I3N3O5
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Chemical Name:
(2S)-1-[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]pyrrolidine-2-carboxylic acid
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Synonyms:
L-Proline, 1-(3,5-bis(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)-;30743-29-4;BRN 0505160;1-(3,5-Bis(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)-L-proline;1-(3,5-Bis-(N-aethyl-propionylamino)-2,4,6-trijod-benzoyl)-pyrrolidin-2-carbonsaure [German];DTXSID20184770;1-(3,5-Bis-(N-aethyl-propionylamino)-2,4,6-trijod-benzoyl)-pyrrolidin-2-carbonsaure
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CAS No:
(2S)-1-[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]pyrrolidine-2-carboxylic acid Basic Attributes
795.2 g/mol
794.9163 g/mol
DTXSID20184770
Computed Properties
Molecular Weight:795.2
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:794.9163
Monoisotopic Mass:794.9163
Topological Polar Surface Area:98.2
Heavy Atom Count:33
Complexity:717
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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