7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid
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![7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a3efffdb86454412832b3b90779861b8.png "7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid")
7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid
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CAS No:
122222-44-0
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Formula:
C17H25NO3S
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Chemical Name:
7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid
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Synonyms:
Heptanoic acid,7-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]; 7-((2-(Mercaptomethyl)-1-oxo-3-phenylpropyl)amino)heptanoic acid;
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CAS No:
Computed Properties
Molecular Weight:323.5
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:323.15551483
Monoisotopic Mass:323.15551483
Topological Polar Surface Area:67.4
Heavy Atom Count:22
Complexity:330
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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