Formula |
C16H25BN2O5 |
IUPAC Name |
[(1r,2s)-1-[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]-2-methyl-butyl]boronic acid |
Molecular Mass |
336.191 g·mol−1 |
Heat of Formation |
-1176.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.10 ± 1.08 D |
Volume |
418.09 Å 3 |
Surface Area |
377.79 Å 2 |
HOMO Energy |
-9.61 ± 0.55 eV |
LUMO Energy |
2.89 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [(1r,2s)-1-[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]-2-methyl-butyl]boronic acid
- [(1r,2s)-2-methyl-1-[[(2s)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]propyl]amino]butyl]boronic acid
- [(1r,2s)-2-methyl-1-[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butyl]boronic acid
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InChIKey |
WMMGWXIYADLQHX-OBJOEFQTSA-N |
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Links |
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DOI |
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Elements |
H
C
B
O
N
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