3-Hydroxy-N-(2-methyl-3-sulfanylpropanoyl)-L-tyrosine

Base Information

• Chemical Name: 3-Hydroxy-N-(2-methyl-3-sulfanylpropanoyl)-L-tyrosine
• CAS No.: 79617-70-2
• Molecular Formula: C13H17NO5S
• DSSTox Substance ID: DTXSID20515989

Synonyms:79617-70-2;SCHEMBL7322749;3-Hydroxy-N-(2-methyl-3-sulfanylpropanoyl)-L-tyrosine;DTXSID20515989

Chemical Property of 3-Hydroxy-N-(2-methyl-3-sulfanylpropanoyl)-L-tyrosine

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 299.08274382
• Heavy Atom Count: 20
• Complexity: 352

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MSDS Files:

Useful:

• Canonical SMILES: CC(CS)C(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)O
• Isomeric SMILES: CC(CS)C(=O)N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O

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