Formula |
C14H19FN2O3S |
IUPAC Name |
(2r)-2-amino-3-[2-(4-fluoro-n-isopropyl-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid |
Molecular Mass |
314.376 g·mol−1 |
Heat of Formation |
-673.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.47 ± 1.08 D |
Volume |
375.58 Å 3 |
Surface Area |
326.21 Å 2 |
HOMO Energy |
-9.17 ± 0.55 eV |
LUMO Energy |
-0.53 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- (2r)-2-amino-3-[2-[(4-fluorophenyl)-isopropyl-amino]-2-oxo-ethyl]sulfanyl-propanoic acid
- (2r)-2-amino-3-[2-[(4-fluorophenyl)-propan-2-yl-amino]-2-oxo-ethyl]sulfanyl-propanoic acid
- (2r)-2-amino-3-[2-[(4-fluorophenyl)-propan-2-ylamino]-2-oxoethyl]sulfanylpropanoic acid
- (2r)-2-amino-3-[[2-[(4-fluorophenyl)-isopropyl-amino]-2-keto-ethyl]thio]propionic acid
- (2r)-2-amino-3-[[2-[(4-fluorophenyl)-isopropylamino]-2-oxoethyl]thio]propanoic acid
- 2-(2-amino-3-oxo-propylsulfanyl)-n-(4-fluoro-phenyl)-n-isopropyl-acetamide
- foe
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InChIKey |
NYVPFDRTSVHZRO-LBPRGKRZSA-N |
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Links |
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Elements |
C
F
H
O
N
S
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