Formula |
C33H39N3O5 |
IUPAC Name |
(3r)-3-[[(2r)-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 |
-846.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.48 ± 1.08 D |
Volume |
686.07 Å 3 |
Surface Area |
513.12 Å 2 |
HOMO Energy |
-8.21 ± 0.55 eV |
LUMO Energy |
-0.12 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PGOLWKTUHWHYJS-BTCCXJKMSA-N |
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Links |
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Elements |
H
C
O
N
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