2-[[(2S)-2-[2-[[(2S)-2-[2-(2-aminopropanoylamino)propanoylamino]propanoyl]amino]propanoylamino]propanoyl]amino]propanoic acid

Base Information

• Chemical Name: 2-[[(2S)-2-[2-[[(2S)-2-[2-(2-aminopropanoylamino)propanoylamino]propanoyl]amino]propanoylamino]propanoyl]amino]propanoic acid
• CAS No.: 111652-29-0
• Molecular Formula: C18H32 N6 O7 . Cl H
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50912245
• Mol file: 111652-29-0.mol

Synonyms:hexa-L-alanine;111652-29-0;2-[[(2S)-2-[2-[[(2S)-2-[2-(2-aminopropanoylamino)propanoylamino]propanoyl]amino]propanoylamino]propanoyl]amino]propanoic acid;DTXSID50912245;N-(14-Amino-1,4,7,10,13-pentahydroxy-2,5,8,11-tetramethyl-3,6,9,12-tetraazapentadeca-3,6,9,12-tetraen-1-ylidene)alanine

Chemical Property of 2-[[(2S)-2-[2-[[(2S)-2-[2-(2-aminopropanoylamino)propanoylamino]propanoyl]amino]propanoylamino]propanoyl]amino]propanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 929.2°Cat760mmHg
• Flash Point: 515.8°C
• PSA: 0.00000
• Density: 1.248g/cm³
• LogP: 0.00000
• XLogP3: -4.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 444.23324738
• Heavy Atom Count: 31
• Complexity: 714

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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