(2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid
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![(2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6b6c6f00cdee4d0b88aaa4538525c27b.png "(2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid")
(2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid
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CAS No:
86709-48-0
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Formula:
C18H21NO5S
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Chemical Name:
(2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid
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Synonyms:
1-((3-acetylthio)-3-benzoyl-2-methylpropionyl)-L-proline;CL 242817;CL-242817;CL242817;CL 242817;CL-242817;UNII-735I61KD23;86709-48-0;735I61KD23;((2R,3S)-3-(acetylthio)-2-methyl-4-oxo-4-phenylbutanoyl)-L-proline;SCHEMBL11114678;1-((3-Acetylthio)-3-benzoyl-2-methylpropionyl)-L-proline;DTXSID601007049;Q27266136;1-[3-(Acetylsulfanyl)-2-methyl-4-oxo-4-phenylbutanoyl]proline;L-Proline, 1-(3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl)-, (S-(R*,S*))-
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CAS No:
(2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid Basic Attributes
363.4 g/mol
363.11404394 g/mol
735I61KD23
Computed Properties
Molecular Weight:363.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:363.11404394
Monoisotopic Mass:363.11404394
Topological Polar Surface Area:117
Heavy Atom Count:25
Complexity:544
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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