(3S)-3-amino-4-[[(2S)-5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Base Information

• Chemical Name: (3S)-3-amino-4-[[(2S)-5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
• CAS No.: 51528-58-6
• Molecular Formula: C20H26N6O4
• Molecular Weight: 414.46
• European Community (EC) Number: 686-449-9
• Mol file: 51528-58-6.mol

Synonyms:H-Asp-Arg-betaNA;H-Asp-Arg-Beta-Na;51528-58-6;(3S)-3-amino-4-[[(2S)-5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid;(S)-3-amino-4-((S)-5-guanidino-1-(naphthalen-2-ylamino)-1-oxopentan-2-ylamino)-4-oxobutanoic acid

Chemical Property of (3S)-3-amino-4-[[(2S)-5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Chemical Property:

• PSA: 183.42000
• LogP: 2.68350
• Storage Temp.: -15°C
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 414.20155333
• Heavy Atom Count: 30
• Complexity: 637

Purity/Quality:

99% ^*data from raw suppliers

H-ASP-ARG-BETA-NA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N