Formula |
C21H26N3O6P |
IUPAC Name |
[(1r)-1-[[(2s)-2-(3h-furan-1-ium-3-ide-2-carbonylamino)-4-methyl-pentanoyl]amino]-2-indol-1-ium-3-yl-ethyl]phosphonic acid |
Molecular Mass |
447.421 g·mol−1 |
Heat of Formation |
-1102.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.71 ± 1.08 D |
Volume |
513.84 Å 3 |
Surface Area |
434.54 Å 2 |
HOMO Energy |
-8.42 ± 0.55 eV |
LUMO Energy |
-0.44 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [(1r)-1-[[(2s)-2-(furan-2-carbonylamino)-4-methyl-pentanoyl]amino]-2-(1h-indol-3-yl)ethyl]phosphonic acid
- [(1r)-1-[[(2s)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-2-(1h-indol-3-yl)ethyl]phosphonic acid
- [(1r)-1-[[(2s)-2-(furan-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-(1h-indol-3-yl)ethyl]phosphonic acid
- [(1r)-1-[[(2s)-2-[(2-furyl-oxomethyl)amino]-4-methyl-1-oxopentyl]amino]-2-(1h-indol-3-yl)ethyl]phosphonic acid
- flx
- n-[(furan-2-yl)carbonyl]-(s)-leucyl-(r)-[1-amino-2(1h-indol-3-yl)ethyl]-phosphonic acid
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InChIKey |
WHPKSASOSKNDPY-PKOBYXMFSA-N |
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Elements |
P
C
H
O
N
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