3-naphthalen-1-yl-2-[[3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]amino]propanoic acid
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![3-naphthalen-1-yl-2-[[3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/34278e1ad1ad44c9a69a5a552d8f1057.png "3-naphthalen-1-yl-2-[[3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]amino]propanoic acid")
3-naphthalen-1-yl-2-[[3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]amino]propanoic acid
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CAS No:
152971-79-4
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Formula:
C17H16F3NO3S
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Chemical Name:
3-naphthalen-1-yl-2-[[3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]amino]propanoic acid
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Synonyms:
alpha-(N-(1-oxo-3-thio-2-(trifluoromethyl)propyl)amino)-1-naphthalenepropanoic acid;CGS 25015;CGS-25015;152971-79-4;Cgs-25015;Cgs 25015;DTXSID40934638;3-naphthalen-1-yl-2-[[3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]amino]propanoic acid;3-Naphthalen-1-yl-N-[3,3,3-trifluoro-1-hydroxy-2-(sulfanylmethyl)propylidene]alanine;alpha-(N-(1-Oxo-3-thio-2-(trifluoromethyl)propyl)amino)-1-naphthalenepropanoic acid;1-Naphthalenepropanoic acid, alpha-((3,3,3-trifluoro-2-(mercaptomethyl)-1-oxopropyl)amino)-
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CAS No:
3-naphthalen-1-yl-2-[[3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]amino]propanoic acid Basic Attributes
371.4 g/mol
371.08029903 g/mol
Drug Information
alpha-(N-(1-oxo-3-thio-2-(trifluoromethyl)propyl)amino)-1-naphthalenepropanoic acid
Computed Properties
Molecular Weight:371.4
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:371.08029903
Monoisotopic Mass:371.08029903
Topological Polar Surface Area:67.4
Heavy Atom Count:25
Complexity:486
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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