Formula |
C35H35BrClN4O10P |
IUPAC Name |
(4s)-5-amino-4-[[(2s)-2-[[(2s)-2-[[(4-bromophenyl)-hydroxy-phosphoryl]methyl]-3-[3-[4-(3-chlorophenyl)phenyl]isoxazol-5-yl]propanoyl]amino]-4-carboxy-butanoyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
818.004 g·mol−1 |
Heat of Formation |
-1549.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.69 ± 1.08 D |
Volume |
867.88 Å 3 |
Surface Area |
734.25 Å 2 |
HOMO Energy |
-9.09 ± 0.55 eV |
LUMO Energy |
-1.02 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PTUCPHGSAFOJAU-MGONOCMRSA-N |
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Links |
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Elements |
C
Cl
H
O
N
P
Br
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