Formula |
C39H48N4O5 |
IUPAC Name |
(2s)-4-(benzofuran-2-ylmethyl)-1-[(2s,4s)-4-benzyl-2-hydroxy-5-[[(1r,2r)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-n-tert-butyl-piperazine-2-carboxamide |
Molecular Mass |
652.822 g·mol−1 |
Heat of Formation |
-607.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.33 ± 1.08 D |
Volume |
822.67 Å 3 |
Surface Area |
645.81 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
-0.32 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AOMZDQMIOCTPQP-OGJUHTASSA-N |
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Elements |
H
C
O
N
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