| Formula |
C27H33N3O9 |
| IUPAC Name |
2-[4-[(2s)-2-[[(1s)-1-carboxy-2-phenyl-ethyl]carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid |
| Molecular Mass |
543.566 g·mol−1 |
| Heat of Formation |
-1572.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.25 ± 1.08 D |
| Volume |
660.63 Å 3 |
| Surface Area |
521.25 Å 2 |
| HOMO Energy |
-9.50 ± 0.55 eV |
| LUMO Energy |
-0.57 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[4-[(2s)-2-[[(1s)-2-hydroxy-2-oxo-1-(phenylmethyl)ethyl]carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid
- 2-[4-[(2s)-2-[[(2s)-1-hydroxy-1-oxo-3-phenyl-propan-2-yl]carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid
- 2-[4-[(2s)-2-[[(2s)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid
- 2-[4-[(2s)-2-[[[[(1s)-2-hydroxy-2-oxo-1-(phenylmethyl)ethyl]amino]-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid
- 2-[4-[(2s)-3-(amylamino)-2-[[(1s)-1-(benzyl)-2-hydroxy-2-keto-ethyl]carbamoylamino]-3-keto-propyl]phenoxy]malonic acid
- 2-{4-[(2s)-2-[({[(1s)-1-carboxy-2-phenylethyl]amino}carbonyl)amino]-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid
|
| InChIKey |
BKONADSQADEJJP-SFTDATJTSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
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