Formula |
C28H29ClN4O8 |
IUPAC Name |
(4s)-5-amino-4-[[(2s)-4-carboxy-2-[3-[3-[4-(3-chlorophenyl)phenyl]isoxazol-5-yl]propanoylamino]butanoyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
585.005 g·mol−1 |
Heat of Formation |
-1200.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.64 ± 1.08 D |
Volume |
667.85 Å 3 |
Surface Area |
590.66 Å 2 |
HOMO Energy |
-9.69 ± 0.55 eV |
LUMO Energy |
-0.81 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KOVQMCGGWATESY-VXKWHMMOSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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