Formula |
C25H30N2O10 |
IUPAC Name |
2-[4-[(2s)-2-acetamido-3-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]-2-hydroxy-phenoxy]acetic acid |
Molecular Mass |
518.513 g·mol−1 |
Heat of Formation |
-1716.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.94 ± 1.08 D |
Volume |
595.95 Å 3 |
Surface Area |
525.34 Å 2 |
HOMO Energy |
-9.08 ± 0.55 eV |
LUMO Energy |
2.65 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[4-[(2s)-2-acetamido-3-[4-(2-carbomethoxy-3-hydroxy-phenoxy)butylamino]-3-keto-propyl]-2-hydroxy-phenoxy]acetic acid
- 2-[4-[(2s)-2-acetamido-3-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]-2-hydroxy-phenoxy]acetic acid
- 2-[4-[(2s)-2-acetamido-3-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]-2-hydroxy-phenoxy]ethanoic acid
- 2-[4-[(2s)-2-acetamido-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]-2-hydroxyphenoxy]acetic acid
- 2-{4-[2-acetylamino-3-(4-carboxymethoxy-3-hydroxy-phenyl)-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester
- compound 20
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InChIKey |
QEANZBIJPCAREV-KRWDZBQOSA-N |
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Links |
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Elements |
H
C
O
N
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