(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic Acid

Base Information

• Chemical Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic Acid
• CAS No.: 61257-72-5
• Molecular Formula: C11H22N6O4
• Molecular Weight: 302.33000
• DSSTox Substance ID: DTXSID90420551
• Nikkaji Number: J2.059.413F
• Metabolomics Workbench ID: 81857

Synonyms:Gly-Ala-Arg;L-Arginine, glycyl-L-alanyl-;(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic Acid;61257-72-5;Glycyl-alanyl-arginine;Glycyl-L-alanyl-L-arginine;DTXSID90420551;CHEBI:163408

Chemical Property of (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic Acid

Chemical Property:

• PSA: 190.40000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 0.85430
• XLogP3: -5.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 302.17025320
• Heavy Atom Count: 21
• Complexity: 408

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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