N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid
Basic information
- CAS
18921-68-1- Standard SMILES
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)ccc2n1- InChIKey
IOLLERXPKZGYRA-INIZCTEOSA-N- Molecular formula
- C21H22N6O5
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.16516782
Names & identifiers
- Preferred name
- N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid
- IUPAC
- (2S)-2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Names & synonyms
18921-68-1DTXSID901150403N-[4-[[(2,4-Diamino-6-quinazolinyl)methyl]amino]benzoyl]-L-glutamic acidN-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acidRefChem:1091201DTXCID301581957DeazaminopterinDeazaaminopterin(2S)-2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid(4-(((2,4-diaminoquinazolin-6-yl)methyl)amino)benzoyl)-L-glutamic acidNCS 529860NSC 529860
Show more names
CB 3702Glutamic acid, N-(p-(((2,4-diamino-6-quinazolinyl)methyl)amino)benzoyl)-, L-L-N-(p-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)glutamic acidn-(4-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}benzoyl)-l-glutamic acidorb1986202CHEMBL3244851SCHEMBL297113672-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
Database identifiers
- CAS
18921-68-1- PubChem CID
- 101200
- DTXSID
DTXSID901150403- ChEMBL
CHEMBL3244851- Nikkaji
- J122.435B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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