Formula |
C33H39N3O5 |
IUPAC Name |
(3r)-3-[[(2s)-2-(2-adamantyloxycarbonylamino)-3-(2h-indol-1-ium-2-ylium-3-yl)-2-methyl-propanoyl]amino]-4-phenyl-butanoic acid |
Molecular Mass |
557.680 g·mol−1 |
Heat of Formation |
-867.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.32 ± 1.08 D |
Volume |
685.02 Å 3 |
Surface Area |
492.4 Å 2 |
HOMO Energy |
-8.62 ± 0.55 eV |
LUMO Energy |
-0.20 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PGOLWKTUHWHYJS-LDDNKUFSSA-N |
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Elements |
H
C
O
N
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