Basic information
- CAS
71074-48-1- Standard SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)cc1- InChIKey
FACPCDZDGSEZOG-UHFFFAOYSA-N- Molecular formula
- C24H27N9O8
- Average molar mass
- 569.5 g/mol
- Monoisotopic mass
- 569.19825885
Names & identifiers
- Preferred name
- N-[2-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzamido)-4-carboxy-1-hydroxybutylidene]aspartic acid
- IUPAC
- 2-[[4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid
Names & synonyms
SCHEMBL14027565DTXSID90991357NSC292225NSC-292225N-[2-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzamido)-4-carboxy-1-hydroxybutylidene]aspartic acid
Database identifiers
- CAS
71074-48-1- PubChem CID
- 324979
- DTXSID
DTXSID90991357
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 277 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 963
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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