Formula |
C30H42N4O5S2 |
IUPAC Name |
(2s)-2-acetamido-n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl-[(2s)-2-methylbutyl]amino]-1-benzyl-2-hydroxy-propyl]-4-methyl-pentanamide |
Molecular Mass |
602.808 g·mol−1 |
Heat of Formation |
-853.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.52 ± 1.08 D |
Volume |
733.1 Å 3 |
Surface Area |
499.03 Å 2 |
HOMO Energy |
-8.76 ± 0.55 eV |
LUMO Energy |
2.23 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DTBCRFWBLISCCS-WNQFUHBBSA-N |
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Elements |
H
C
S
O
N
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