Basic information
- Standard SMILES
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1- InChIKey
SQZCKWVARMTPGH-UHFFFAOYSA-N- Molecular formula
- C26H25N9O6
- Average molar mass
- 559.5 g/mol
- Monoisotopic mass
- 559.19277955
Names & identifiers
- Preferred name
- N-(3-Carboxy-3-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-propyl)-phthalamic acid
- IUPAC
- 2-[[3-carboxy-3-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propyl]carbamoyl]benzoic acid
Names & synonyms
CHEMBL42819NCI60_023541BDBM50039118ICX5608982N-(3-Carboxy-3-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-propyl)-phthalamic acid
Database identifiers
- PubChem CID
- 381233
- ChEMBL
CHEMBL42819
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 933
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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