Formula |
C23H21NO3S |
IUPAC Name |
s-benzyl (2s)-2-benzamido-3-(4-hydroxyphenyl)propanethioate |
Molecular Mass |
391.483 g·mol−1 |
Heat of Formation |
-242.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.29 ± 1.08 D |
Volume |
470.66 Å 3 |
Surface Area |
387.96 Å 2 |
HOMO Energy |
-9.09 ± 0.55 eV |
LUMO Energy |
-0.75 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-(benzoylamino)-3-(4-hydroxyphenyl)propanethioic acid s-(benzyl) ester
- (2s)-3-(4-hydroxyphenyl)-2-[(oxo-phenylmethyl)amino]propanethioic acid s-(phenylmethyl) ester
- benzenepropanethioic acid, alpha-(benzoylamino)-4-hydroxy-, s-(phenylmethyl) ester, (s)-
- n-benzoyl-l-tyrosine thiobenzyl ester
- s-(phenylmethyl) (2s)-2-(benzoylamino)-3-(4-hydroxyphenyl)propanethioate
- s-(phenylmethyl) (2s)-3-(4-hydroxyphenyl)-2-(phenylcarbonylamino)propanethioate
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CAS Number(s) |
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InChIKey |
VALWJPUHAVRYSX-NRFANRHFSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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