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(2S)-4-amino-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-oxobutanoic acid

Base Information
  • Chemical Name:(2S)-4-amino-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-oxobutanoic acid
  • CAS No.:112772-46-0
  • Molecular Formula:C16H22 N2 O7
  • Molecular Weight:354.36
  • Hs Code.:
  • European Community (EC) Number:601-201-1
  • DSSTox Substance ID:DTXSID40553424
  • Wikidata:Q82434008
  • Mol file:112772-46-0.mol
(2S)-4-amino-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-oxobutanoic acid

Synonyms:112772-46-0;(2S)-4-amino-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-oxobutanoic acid;DTXSID40553424;N~2~-({[2-(3,5-Dimethoxyphenyl)propan-2-yl]oxy}carbonyl)-L-asparagine

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Chemical Property of (2S)-4-amino-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-oxobutanoic acid
Chemical Property:
  • Vapor Pressure:2.69E-16mmHg at 25°C 
  • Refractive Index:1.537 
  • Boiling Point:621.3°C at 760 mmHg 
  • Flash Point:329.5°C 
  • PSA:137.18000 
  • Density:1.273g/cm3 
  • LogP:2.08490 
  • XLogP3:0.4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:9
  • Exact Mass:354.14270105
  • Heavy Atom Count:25
  • Complexity:483
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)(C1=CC(=CC(=C1)OC)OC)OC(=O)NC(CC(=O)N)C(=O)O
  • Isomeric SMILES:CC(C)(C1=CC(=CC(=C1)OC)OC)OC(=O)N[C@@H](CC(=O)N)C(=O)O
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