2-(Benzylsulfonylamino)-3-[[2-(benzylsulfonylamino)-2-carboxyethyl]disulfanyl]propanoic acid

Base Information

• Chemical Name: 2-(Benzylsulfonylamino)-3-[[2-(benzylsulfonylamino)-2-carboxyethyl]disulfanyl]propanoic acid
• CAS No.: 6297-59-2
• Molecular Formula: C20H24N2O8S4
• Molecular Weight: 548.7
• NSC Number: 46041,45715
• DSSTox Substance ID: DTXSID20286420

Synonyms:NSC45715;6297-59-2;DTXSID20286420;NSC46041;NSC-45715;NSC-46041

Chemical Property of 2-(Benzylsulfonylamino)-3-[[2-(benzylsulfonylamino)-2-carboxyethyl]disulfanyl]propanoic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 15
• Exact Mass: 548.04155042
• Heavy Atom Count: 34
• Complexity: 786

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CS(=O)(=O)NC(CSSCC(C(=O)O)NS(=O)(=O)CC2=CC=CC=C2)C(=O)O

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