| Formula |
C25H26N4O4 |
| IUPAC Name |
methyl (2r,3r)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate |
| Molecular Mass |
446.498 g·mol−1 |
| Heat of Formation |
-250.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.24 ± 1.08 D |
| Volume |
543.26 Å 3 |
| Surface Area |
451.89 Å 2 |
| HOMO Energy |
-9.09 ± 0.55 eV |
| LUMO Energy |
2.10 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r,3r)-2-(3-amidinobenzyl)-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butyric acid methyl ester
- (2r,3r)-2-[(3-carbamimidoylphenyl)methyl]-3-[[[4-(1-oxido-4-pyridin-1-iumyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester
- methyl (2r,3r)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)phenyl]carbonylamino]butanoate
|
| InChIKey |
PFGVNLZDWRZPJW-OPAMFIHVSA-N |
| QR Code |
Generate QR Code |
| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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