Basic information
- CAS
18921-65-8- Standard SMILES
Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)cc3)ccc2n1- InChIKey
RJMVWPJFVJJJLO-UHFFFAOYSA-N- Molecular formula
- C20H20N6O5
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.14951776
Names & identifiers
- Preferred name
- L-Aspartic acid,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-
- IUPAC
- 2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
Names & synonyms
CHEMBL156237NSC112846NSC-112846Aspartic acid,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, L-L-Aspartic acid,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-
Database identifiers
- CAS
18921-65-8- PubChem CID
- 419263
- ChEMBL
CHEMBL156237
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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