1-[3-(1H-imidazol-5-yl)-2-[(6-methyl-5-oxothiomorpholine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
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![1-[3-(1H-imidazol-5-yl)-2-[(6-methyl-5-oxothiomorpholine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/17d157df41cd40fab27c56a6651a38ac.png "1-[3-(1H-imidazol-5-yl)-2-[(6-methyl-5-oxothiomorpholine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid")
1-[3-(1H-imidazol-5-yl)-2-[(6-methyl-5-oxothiomorpholine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
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CAS No:
96626-42-5
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Formula:
C17H23N5O5S
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Chemical Name:
1-[3-(1H-imidazol-5-yl)-2-[(6-methyl-5-oxothiomorpholine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
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Synonyms:
CNK 6004;CNK 6004, (3R-cis)-isomer;CNK-6004;N-((6-methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl-L-proline;Cnk 6004;96626-42-5;Cnk-6004;Thiomorpholine, L-proline deriv.;DTXSID20914413;N-((6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl-L-proline;1-(N-((6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl)-L-proline;1-[3-(1H-imidazol-5-yl)-2-[(6-methyl-5-oxothiomorpholine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;L-Proline, 1-(N-((6-methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl)-;N-[Hydroxy(5-hydroxy-6-methyl-3,6-dihydro-2H-1,4-thiazin-3-yl)methylidene]histidylproline
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CAS No:
1-[3-(1H-imidazol-5-yl)-2-[(6-methyl-5-oxothiomorpholine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Basic Attributes
409.5 g/mol
409.14199002 g/mol
Computed Properties
Molecular Weight:409.5
XLogP3:-1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:409.14199002
Monoisotopic Mass:409.14199002
Topological Polar Surface Area:170
Heavy Atom Count:28
Complexity:647
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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