methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate

Base Information

• Chemical Name: methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate
• CAS No.: 129229-16-9
• Molecular Formula: C26H39 N3 O6
• Molecular Weight: 489.6
• Mol file: 129229-16-9.mol

Synonyms:N-Boc-Phe-dehydro-Leu-Val-OCH3;N-butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester;NBDLV-OCH3

Chemical Property of methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate

Chemical Property:

• Vapor Pressure: 7.27E-20mmHg at 25°C
• Boiling Point: 707.5°C at 760 mmHg
• PKA: 11.16±0.46(Predicted)
• Flash Point: 381.7°C
• PSA: 133.30000
• Density: 1.107g/cm³
• LogP: 4.97730
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 489.28388597
• Heavy Atom Count: 35
• Complexity: 764

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC(C)/C=C(\C(=O)NC(C(C)C)C(=O)OC)/NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C