Basic information
- CAS
70539-58-1- Standard SMILES
CCOC(=O)CCC(NC(=O)c1ccc(CN(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)OCC- InChIKey
LZPOQJNFJACKPS-UHFFFAOYSA-N- Molecular formula
- C25H32N8O5
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.24956615
Names & identifiers
- Preferred name
- Diethyl 2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-methylamino]methyl]benzoyl]amino]pentanedioate
- IUPAC
- diethyl 2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-methylamino]methyl]benzoyl]amino]pentanedioate
Names & synonyms
70539-58-1NSC266521diethyl 2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-methylamino]methyl]benzoyl]amino]pentanedioateDTXSID70313154NSC-266521Diethyl N-[4-({[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}methyl)benzoyl]glutamate
Database identifiers
- CAS
70539-58-1- PubChem CID
- 320195
- DTXSID
DTXSID70313154
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 781
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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