Benzyl N-[1-[[6-amino-1-[[6-amino-1-[[5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;hydrochloride

Base Information

• Chemical Name: Benzyl N-[1-[[6-amino-1-[[6-amino-1-[[5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;hydrochloride
• CAS No.: 100900-15-0
• Molecular Formula: C42H62 N10 O7 . 3 Cl H
• Molecular Weight: 928.39
• European Community (EC) Number: 634-462-5
• DSSTox Substance ID: DTXSID60585101
• Mol file: 100900-15-0.mol

Synonyms:100900-15-0;Benzyl N-[1-[[6-amino-1-[[6-amino-1-[[5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;hydrochloride;DTXSID60585101;N-[(Benzyloxy)carbonyl]valyllysyllysyl-N~5~-(diaminomethylidene)-N-(4-methoxynaphthalen-2-yl)ornithinamide--hydrogen chloride (1/1)

Chemical Property of Benzyl N-[1-[[6-amino-1-[[6-amino-1-[[5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;hydrochloride

Chemical Property:

• PSA: 295.35000
• LogP: 9.48190
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 26
• Exact Mass: 854.4569721
• Heavy Atom Count: 60
• Complexity: 1330

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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