Formula |
C20H23N3O6 |
IUPAC Name |
methyl 4-[[[(2s,4r)-4-hydroxy-1-[2-(3-methylisoxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]methyl]benzoate |
Molecular Mass |
401.413 g·mol−1 |
Heat of Formation |
-776.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.31 ± 1.08 D |
Volume |
464.89 Å 3 |
Surface Area |
415.58 Å 2 |
HOMO Energy |
-9.80 ± 0.55 eV |
LUMO Energy |
2.43 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HMFSOBWOOWBCBL-WBVHZDCISA-N |
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Elements |
H
C
O
N
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