Methyl 4-[[1-[[1-[2-[[4-methylsulfanyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate

Base Information

• Chemical Name: Methyl 4-[[1-[[1-[2-[[4-methylsulfanyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
• CAS No.: 70967-91-8
• Molecular Formula: C27H38N6O9S
• Molecular Weight: 622.69
• DSSTox Substance ID: DTXSID20404147
• Mol file: 70967-91-8.mol

Synonyms:70967-91-8;MEOSUC-AAPM-PNA;methyl 4-[[1-[[1-[2-[[4-methylsulfanyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate;N-Methoxysuccinyl-Ala-Ala-Pro-Met p-nitroanilide;DTXSID20404147;N-Methoxysuccinyl-Ala-Ala-Pro-Met p-nitroanilide, >95% (HPLC)

Chemical Property of Methyl 4-[[1-[[1-[2-[[4-methylsulfanyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate

Chemical Property:

• PSA: 234.13000
• LogP: 2.43160
• Storage Temp.: −20°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 622.24209798
• Heavy Atom Count: 43
• Complexity: 1030

Purity/Quality:

99% ^*data from raw suppliers

N-METHOXYSUCCINYL-ALA-ALA-PRO-MET P-NITROANILIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCC(=O)OC