Formula |
C22H31N5O5 |
IUPAC Name |
4-[[4-[(2s)-2-[[(1s)-5-amino-1-carboxy-pentyl]carbamoyl]-3-methyl-butyl]-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl]methyl]benzoic acid |
Molecular Mass |
445.512 g·mol−1 |
Heat of Formation |
-746.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.52 ± 1.08 D |
Volume |
553.25 Å 3 |
Surface Area |
468.38 Å 2 |
HOMO Energy |
-9.42 ± 0.55 eV |
LUMO Energy |
-1.49 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZFYKXBBWZOQIRM-OALUTQOASA-N |
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Elements |
H
C
O
N
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