Basic information
- CAS
80360-08-3- Standard SMILES
CCOC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3c2)cc1)C(=O)OCC- InChIKey
ZFWPBCDEDNIZTL-SFHVURJKSA-N- Molecular formula
- C24H29N7O5
- Average molar mass
- 495.5 g/mol
- Monoisotopic mass
- 495.22301705
Names & identifiers
- Preferred name
- Diethyl N-[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]-L-glutamate
- IUPAC
- diethyl (2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioate
Names & synonyms
SCHEMBL10688663ZFWPBCDEDNIZTL-SFHVURJKSA-NDiethyl N-[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]-L-glutamateDiethyl N-[4-[(2,4-diaminopyrido[2,3-d]pyrimidine-6-yl)methylamino]benzoyl]-L-glutamate
Database identifiers
- CAS
80360-08-3- PubChem CID
- 12908481
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 734
Related reactions
7 records
Compound notes
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