Formula |
C21H24IN3O7 |
IUPAC Name |
(2s)-2-[[(1s)-1-carboxy-2-(2-furyl)ethyl]carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid |
Molecular Mass |
557.336 g·mol−1 |
Heat of Formation |
-1039.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.00 ± 1.08 D |
Volume |
564.82 Å 3 |
Surface Area |
487.76 Å 2 |
HOMO Energy |
-9.06 ± 0.55 eV |
LUMO Energy |
2.31 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XDHPABCLBICMJM-IRXDYDNUSA-N |
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Elements |
I
H
C
O
N
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