3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxopropanoic acid
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![3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxopropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/989a5874600542fa8d7ef6d0987ea750.png "3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxopropanoic acid")
3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxopropanoic acid
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CAS No:
89648-14-6
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Formula:
C14H24N2O7S
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Chemical Name:
3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxopropanoic acid
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Synonyms:
pantetheine-3-pyruvate;89648-14-6;Pantetheine-3-pyruvate;DTXSID701008919;3-{[2-({1-Hydroxy-3-[(1,2,4-trihydroxy-3,3-dimethylbutylidene)amino]propylidene}amino)ethyl]sulfanyl}-2-oxopropanoic acid;Propanoic acid, 3-((2-((3-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-1-oxopropyl)amino)ethyl)thio)-2-oxo-, (R)-
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CAS No:
3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxopropanoic acid Basic Attributes
364.42 g/mol
364.13042228 g/mol
Computed Properties
Molecular Weight:364.42
XLogP3:-1.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:364.13042228
Monoisotopic Mass:364.13042228
Topological Polar Surface Area:178
Heavy Atom Count:24
Complexity:468
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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