3-benzylsulfanyl-2-[(2-phenylacetyl)amino]propanoic acid
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![3-benzylsulfanyl-2-[(2-phenylacetyl)amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/87025340f02f48f796f030b4b346228c.png "3-benzylsulfanyl-2-[(2-phenylacetyl)amino]propanoic acid")
3-benzylsulfanyl-2-[(2-phenylacetyl)amino]propanoic acid
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CAS No:
5411-82-5
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Formula:
C18H19NO3S
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Chemical Name:
3-benzylsulfanyl-2-[(2-phenylacetyl)amino]propanoic acid
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Synonyms:
5411-82-5;PA-S-Benzyl-L-cysteine;BRN 3217334;L-3-(Benzylthio)-N-(phenylacetyl)alanine;NSC4226;ALANINE, 3-(BENZYLTHIO)-N-(PHENYLACETYL)-, L-;4-09-00-01648 (Beilstein Handbook Reference);DTXSID20969004;NSC-4226;S-Benzyl-N-(1-hydroxy-2-phenylethylidene)cysteine
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CAS No:
3-benzylsulfanyl-2-[(2-phenylacetyl)amino]propanoic acid Basic Attributes
329.4 g/mol
329.10856464 g/mol
4226
Computed Properties
Molecular Weight:329.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:329.10856464
Monoisotopic Mass:329.10856464
Topological Polar Surface Area:91.7
Heavy Atom Count:23
Complexity:377
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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