2-[[3-benzylsulfanyl-2-[2-[[3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-methylbutanoic acid
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![2-[[3-benzylsulfanyl-2-[2-[[3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-methylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3b394faf0e24441bb3cdb6721ed52210.png "2-[[3-benzylsulfanyl-2-[2-[[3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-methylbutanoic acid")
2-[[3-benzylsulfanyl-2-[2-[[3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-methylbutanoic acid
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CAS No:
26575-59-7
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Formula:
C30H36N6O7S
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Chemical Name:
2-[[3-benzylsulfanyl-2-[2-[[3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-methylbutanoic acid
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Synonyms:
26575-59-7;NSC135122;n-(quinoxalin-2-ylcarbonyl)serylalanyl-s-benzylcysteinylvaline;DTXSID50300148;NSC-135122
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CAS No:
2-[[3-benzylsulfanyl-2-[2-[[3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]-3-methylbutanoic acid Basic Attributes
624.7 g/mol
624.23661868 g/mol
135122
DTXSID50300148
Computed Properties
Molecular Weight:624.7
XLogP3:1.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:15
Exact Mass:624.23661868
Monoisotopic Mass:624.23661868
Topological Polar Surface Area:225
Heavy Atom Count:44
Complexity:995
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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