Formula |
C21H32N5O9P |
IUPAC Name |
[4-[(2r)-2-[[(1s)-1-[[(1s)-3-amino-1-carbamoyl-3-oxo-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-(methylamino)-4-oxo-butyl]phenyl] dihydrogen phosphate |
Molecular Mass |
529.481 g·mol−1 |
Heat of Formation |
-2016.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.10 ± 1.08 D |
Volume |
615.75 Å 3 |
Surface Area |
498.73 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
-0.33 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [4-[(2r)-2-[[(1s)-1-[[(1s)-3-amino-1-carbamoyl-3-keto-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-keto-4-methylamino-butyl]phenyl] dihydrogen phosphate
- [4-[(2r)-2-[[(1s)-1-[[(1s)-3-amino-1-carbamoyl-3-oxo-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-methylamino-4-oxo-butyl]phenyl] dihydrogen phosphate
- [4-[(2r)-2-[[(2s)-1-[[(2s)-1,4-diamino-1,4-dioxo-butan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoyl]-4-methylamino-4-oxo-butyl]phenyl] dihydrogen phosphate
- [4-[(2r)-2-[[(2s)-1-[[(2s)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-methylamino-4-oxobutyl]phenyl] dihydrogen phosphate
- [4-[(2r)-2-[[[(1s)-1-[[[(1s)-3-amino-1-carbamoyl-3-oxopropyl]amino]-oxomethyl]-2-methylpropyl]amino]-oxomethyl]-4-methylamino-4-oxobutyl]phenyl] dihydrogen phosphate
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InChIKey |
CCEFGGFBPGVHRR-XUWXXGDYSA-N |
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Elements |
P
C
H
O
N
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