Basic information
- CAS
151648-48-5- Standard SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(Cl)c1Cl- InChIKey
ZUJKDHNUVLCZJT-JTQLQIEISA-N- Molecular formula
- C20H20Cl2N8O5
- Average molar mass
- 523.3 g/mol
- Monoisotopic mass
- 522.0933712
Names & identifiers
- Preferred name
- L-Glutamic acid, N-(2,3-dichloro-4-(((2,4-diamino-5-pteridinyl)methyl)methylamino)benzoyl)-
- IUPAC
- (2S)-2-[[2,3-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Names & synonyms
151648-48-5NSC 148019L-Glutamic acid, N-(2,3-dichloro-4-(((2,4-diamino-5-pteridinyl)methyl)methylamino)benzoyl)-NSC148019L-Glutamic acid, N-[2,3-dichloro-4-[[(2,4-diamino-5-pteridinyl)methyl]methylamino]benzoyl]-DTXSID60164834(2S)-2-[[2,3-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acidN-(2,3-Dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid
Database identifiers
- CAS
151648-48-5- PubChem CID
- 456142
- DTXSID
DTXSID60164834
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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