Formula |
C37H48N6O5S |
IUPAC Name |
oxazol-5-ylmethyl n-[(1r,4r)-1-benzyl-4-[[(2s)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate |
Molecular Mass |
688.879 g·mol−1 |
Heat of Formation |
-643.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.07 ± 1.08 D |
Volume |
866.52 Å 3 |
Surface Area |
668.23 Å 2 |
HOMO Energy |
-9.07 ± 0.55 eV |
LUMO Energy |
-0.55 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZBUUPRZMJYAPQF-QSCLJHCWSA-N |
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Elements |
H
C
S
O
N
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