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
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Synonyms
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- (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
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CAS Number(s) |
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InChIKey |
KMAAFJXQASELNT-KRWDZBQOSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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