3-ethylsulfanyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
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![3-ethylsulfanyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cb8b7404495147b6bf2ab76e8df44e80.png "3-ethylsulfanyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid")
3-ethylsulfanyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
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CAS No:
17445-52-2
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Formula:
C22H26N2O5S
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Chemical Name:
3-ethylsulfanyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
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Synonyms:
17445-52-2;NSC77763;DTXSID00938511;NSC-77763;DS-006409;Alanine,n-(n-carboxy-3-phenyl-d-alanyl)-3-(ethylthio)-, n-benzyl ester, l-(8ci);N-(2-{[(Benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene)-S-ethylcysteine
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CAS No:
3-ethylsulfanyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Basic Attributes
430.5 g/mol
430.15624311 g/mol
77763
Computed Properties
Molecular Weight:430.5
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:430.15624311
Monoisotopic Mass:430.15624311
Topological Polar Surface Area:130
Heavy Atom Count:30
Complexity:548
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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