3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid
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![3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e2b87386f28540b5a66232a68663a399.png "3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid")
3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid
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CAS No:
100845-83-8
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Formula:
C13H17NO3S
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Chemical Name:
3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid
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Synonyms:
SQ 28,603;SQ 28603;SQ-28603;SQ28603;100845-83-8;SQ-28603;CHEMBL196902;SQ28,603;Squibb 28603;SQ 28603;SQ 28,603;3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid;SCHEMBL389731;DTXSID60905805;beta-Alanine, N-(2-(mercaptomethyl)-1-oxo-3-phenylpropyl)-;BDBM50175499;HY-U00171;CS-7234;3-(2-Benzyl-3-mercapto-propionylamino)-propionic acid;N-[1-Hydroxy-3-phenyl-2-(sulfanylmethyl)propylidene]-beta-alanine;(+/-)-3-[[2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]amino]propanoic acid
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CAS No:
3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid Basic Attributes
267.35 g/mol
267.09291458 g/mol
Drug Information
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)
SQ 28,603
Computed Properties
Molecular Weight:267.35
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:267.09291458
Monoisotopic Mass:267.09291458
Topological Polar Surface Area:67.4
Heavy Atom Count:18
Complexity:277
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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