(4S)-5-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-imino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Base Information

• Chemical Name: (4S)-5-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-imino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
• CAS No.: 134790-35-5
• Molecular Formula: C26H42 N6 O9
• Molecular Weight: 582.65
• Mol file: 134790-35-5.mol

Synonyms:BOC-cyclo(Glu-Pro-Asn-Lys)OMe;butyloxycarbonyl-cyclo(glutamyl-prolyl-asparaginyl-lysyl) methyl ester

Chemical Property of (4S)-5-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-imino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Chemical Property:

• PSA: 249.61000
• Density: 1.36g/cm³
• LogP: 2.91760
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 18
• Exact Mass: 582.30132694
• Heavy Atom Count: 41
• Complexity: 996

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC(C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CCCC=N)C=O)NC(=O)OC(C)(C)C)C(=O)O
• Isomeric SMILES: CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCC=N)C=O)NC(=O)OC(C)(C)C)C(=O)O