Formula |
C21H31N3O8S |
IUPAC Name |
2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
Molecular Mass |
485.551 g·mol−1 |
Heat of Formation |
-1469.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.57 ± 1.08 D |
Volume |
558.88 Å 3 |
Surface Area |
468.6 Å 2 |
HOMO Energy |
-9.62 ± 0.55 eV |
LUMO Energy |
-0.02 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BSPZFJDYQHDZNR-BOSXTWCSSA-N |
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Elements |
H
C
S
O
N
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