2-[[3-Bromo-5-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Basic information
- CAS
6914-12-1- Standard SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Br- InChIKey
AKDWTVCYSZSYQZ-UHFFFAOYSA-N- Molecular formula
- C20H20BrClN8O5
- Average molar mass
- 567.8 g/mol
- Monoisotopic mass
- 566.04286
Names & identifiers
- Preferred name
- 2-[[3-Bromo-5-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
- IUPAC
- 2-[[3-bromo-5-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Names & synonyms
2-[[3-bromo-5-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid6914-12-1NSC98579L-Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
Database identifiers
- CAS
6914-12-1- PubChem CID
- 418098
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 784
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Compound notes
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