Formula |
C21H21N3O8 |
IUPAC Name |
[azaniumylidene-[4-[[2-[3-(carboxymethoxy)-4-methoxy-phenyl]-2-oxo-ethyl]-methyl-carbamoyl]phenyl]methyl]azanide; formic acid |
Molecular Mass |
443.407 g·mol−1 |
Heat of Formation |
-1117.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.35 ± 1.08 D |
Volume |
491.9 Å 3 |
Surface Area |
371.04 Å 2 |
HOMO Energy |
-9.37 ± 0.55 eV |
LUMO Energy |
2.02 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[5-[2-[(4-amidinobenzoyl)-methyl-amino]acetyl]-2-(carboxymethyloxy)phenoxy]acetic acid
- 2-[5-[2-[(4-carbamimidoylbenzoyl)-methyl-amino]acetyl]-2-(carboxymethyloxy)phenoxy]acetic acid
- 2-[5-[2-[(4-carbamimidoylbenzoyl)-methylamino]acetyl]-2-(carboxymethyloxy)phenoxy]acetic acid
- 2-[5-[2-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]ethanoyl]-2-(carboxymethyloxy)phenoxy]ethanoic acid
- 2-[5-[2-[[(4-carbamimidoylphenyl)-oxomethyl]-methylamino]-1-oxoethyl]-2-(carboxymethyloxy)phenoxy]acetic acid
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InChIKey |
ZCCMELPMDDSRHL-UHFFFAOYSA-N |
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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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