tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Base Information

• Chemical Name: tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• CAS No.: 148914-46-9
• Molecular Formula: C19H27 N3 O4
• Molecular Weight: 361.44
• Mol file: 148914-46-9.mol

Synonyms:N-Boc-L-Phe-dehydro-Abu-NH-CH3;N-BPDA;N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3

Chemical Property of tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Chemical Property:

• Vapor Pressure: 1.87E-16mmHg at 25°C
• Boiling Point: 643.6°Cat760mmHg
• Flash Point: 343°C
• PSA: 107.00000
• Density: 1.123g/cm³
• LogP: 3.77340
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 361.20015635
• Heavy Atom Count: 26
• Complexity: 531

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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