2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
Basic information
- CAS
51865-82-8- Standard SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1- InChIKey
KWISOMZJDLWXAZ-UHFFFAOYSA-N- Molecular formula
- C29H33N9O5
- Average molar mass
- 587.6 g/mol
- Monoisotopic mass
- 587.26046519
Names & identifiers
- Preferred name
- 2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
- IUPAC
- 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
Names & synonyms
51865-82-8NSC1508242-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acidCHEMBL142626DTXSID10302401NSC-150824N~6~-[(Benzyloxy)carbonyl]-N~2~-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)lysine
Database identifiers
- CAS
51865-82-8- PubChem CID
- 289162
- DTXSID
DTXSID10302401- ChEMBL
CHEMBL142626
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 900
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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