| Formula |
C29H36N2O12 |
| IUPAC Name |
2-[4-[(2s)-2-(1,1-dimethylethoxycarbonylamino)-3-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]phenoxy]propanedioic acid |
| Molecular Mass |
604.602 g·mol−1 |
| Heat of Formation |
-2112.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.09 ± 1.08 D |
| Volume |
702.07 Å 3 |
| Surface Area |
598.14 Å 2 |
| HOMO Energy |
-9.13 ± 0.55 eV |
| LUMO Energy |
2.52 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-(4-{2-tert-butoxycarbonylamino-2-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)-butylcarbamoyl]-ethyl}-phenoxy)-malonic acid
- 2-[4-[(2s)-2-(tert-butoxycarbonylamino)-3-[4-(2-carbomethoxy-3-hydroxy-phenoxy)butylamino]-3-keto-propyl]phenoxy]malonic acid
- 2-[4-[(2s)-2-(tert-butoxycarbonylamino)-3-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]phenoxy]propanedioic acid
- 2-[4-[(2s)-2-[(tert-butoxy-oxomethyl)amino]-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]phenoxy]propanedioic acid
- 2-[4-[(2s)-3-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-propyl]phenoxy]propanedioic acid
- 2-[4-[(2s)-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]propanedioic acid
|
| InChIKey |
GFLFMVSYYFLPFQ-IBGZPJMESA-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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