Formula |
C28H41N7O5 |
IUPAC Name |
tert-butyl n-[[1-[(3s,5s)-5-[(2s)-2-[(r)-amino(hydroxy)methyl]pyrrolidine-1-carbonyl]-1-(4-phenylbutanoyl)pyrrolidin-3-yl]triazol-4-yl]methyl]carbamate |
Molecular Mass |
555.669 g·mol−1 |
Heat of Formation |
-808.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.30 ± 1.08 D |
Volume |
678.01 Å 3 |
Surface Area |
533.77 Å 2 |
HOMO Energy |
-9.47 ± 0.55 eV |
LUMO Energy |
0.09 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MVZCEONBTBQGTK-KELBGUDLSA-N |
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Elements |
H
C
O
N
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