(2S,3R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid

Base Information

• Chemical Name: (2S,3R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid
• CAS No.: 66185-75-9
• Molecular Formula: C19H30N4O6
• DSSTox Substance ID: DTXSID40428628
• Nikkaji Number: J1.911.348E
• Metabolomics Workbench ID: 83832

Synonyms:Lys-Tyr-Thr;(2S,3R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid;66185-75-9;Lysyl-tyrosyl-threonine;L-Threonine, N-(N-L-lysyl-L-tyrosyl)-;L-Lysyl-L-tyrosyl-L-threonine;DTXSID40428628;CHEBI:160404

Chemical Property of (2S,3R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid

Chemical Property:

• XLogP3: -3.9
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 410.21653469
• Heavy Atom Count: 29
• Complexity: 539

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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