2-[[4-[3-(2-Amino-4-hydroxy-6-methyl-1,4-dihydropyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
Basic information
- CAS
2945-20-2- Standard SMILES
CC1=C(CCCNc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C(O)N=C(N)N1- InChIKey
UUCKJFUGBJJJIT-UHFFFAOYSA-N- Molecular formula
- C20H27N5O6
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.1961336
Names & identifiers
- Preferred name
- 2-[[4-[3-(2-Amino-4-hydroxy-6-methyl-1,4-dihydropyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
- IUPAC
- 2-[[4-[3-(2-amino-4-hydroxy-6-methyl-1,4-dihydropyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
Names & synonyms
NSC 728682945-20-2Glutamic acid, N-(4-((3-(2-amino-1,4-dihydro-4-hydroxy-6-methyl-5-pyrimidinyl)propyl)amino)benzoyl)-Glutamic acid, N-[4-[[3-(2-amino-1,4-dihydro-4-hydroxy-6-methyl-5-pyrimidinyl)propyl]amino]benzoyl]-2-[[4-[3-(2-amino-4-hydroxy-6-methyl-1,4-dihydropyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
Database identifiers
- CAS
2945-20-2- PubChem CID
- 461328
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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