Ethyl N-(2-Acetoxybenzoyl)-L-Phenylalaninate

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Properties Simple | Detailed

Formula C20H21NO5
IUPAC Name ethyl (2s)-2-[(2-acetoxybenzoyl)amino]-3-phenyl-propanoate
Molecular Mass 355.384 g·mol−1
Heat of Formation -772.7 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 427.2 Å 3
Surface Area 336.64 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2-acetoxybenzoyl)amino]-3-phenyl-propionic acid ethyl ester
  • (2s)-2-[[(2-acetoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester
  • apaee
  • aspirin phenylalanine ethyl ester
  • ethyl (2s)-2-[(2-acetoxybenzoyl)amino]-3-phenyl-propanoate
  • ethyl (2s)-2-[(2-acetyloxybenzoyl)amino]-3-phenylpropanoate
  • ethyl (2s)-2-[(2-acetyloxyphenyl)carbonylamino]-3-phenyl-propanoate
  • l-phenylalanine, n-(2-(acetyloxy)benzoyl)-, ethyl ester
CAS Number(s)
  • 76748-72-6
InChIKey KMAAFJXQASELNT-KRWDZBQOSA-N
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