N-[(Benzyloxy)carbonyl]alanyl-N~5~-(diaminomethylidene)ornithyl-N~5~-(diaminomethylidene)-N-naphthalen-2-ylornithinamide--hydrogen chloride (1/1)

Base Information

• Chemical Name: N-[(Benzyloxy)carbonyl]alanyl-N~5~-(diaminomethylidene)ornithyl-N~5~-(diaminomethylidene)-N-naphthalen-2-ylornithinamide--hydrogen chloride (1/1)
• CAS No.: 102047-33-6
• Molecular Formula: C33H44 N10 O5 . 2 Cl H
• Molecular Weight: 720.82
• DSSTox Substance ID: DTXSID50585110
• Mol file: 102047-33-6.mol

Synonyms:DTXSID50585110;N-[(Benzyloxy)carbonyl]alanyl-N~5~-(diaminomethylidene)ornithyl-N~5~-(diaminomethylidene)-N-naphthalen-2-ylornithinamide--hydrogen chloride (1/1);Benzyl N-[1-[[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;hydrochloride

Chemical Property of N-[(Benzyloxy)carbonyl]alanyl-N~5~-(diaminomethylidene)ornithyl-N~5~-(diaminomethylidene)-N-naphthalen-2-ylornithinamide--hydrogen chloride (1/1)

Chemical Property:

• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 696.3262923
• Heavy Atom Count: 49
• Complexity: 1100

Purity/Quality:

97% ^*data from raw suppliers

Z-Ala-Arg-Arg 4-methoxy-β-naphthylamide acetate salt ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-36

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)OCC3=CC=CC=C3.Cl