N-(4-{[(2,4-Diamino-5-Methyl-6-Quinazolinyl)Methyl]Amino}Benzoyl)Aspartic Acid
Properties
Property | Value |
---|---|
Formula | C21H22N6O5 |
IUPAC Name | (2s)-2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid |
Molecular Mass | 438.437 g·mol−1 |
Heat of Formation | -657.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.80 ± 1.08 D |
Volume | 499.71 Å 3 |
Surface Area | 441.43 Å 2 |
HOMO Energy | -8.55 ± 0.55 eV |
LUMO Energy | -0.76 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | NTKNUVXCGJPJQP-HNNXBMFYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |