D-Lysine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
Basic information
- CAS
246224-40-8- Standard SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCCCN)C(=O)O)cc1- InChIKey
XERJQLWAFDLUGV-OAHLLOKOSA-N- Molecular formula
- C21H27N9O3
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.22368576
Names & identifiers
- Preferred name
- D-Lysine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
- IUPAC
- (2R)-6-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]hexanoic acid
Names & synonyms
246224-40-8NSC 127977D-Lysine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-NSC127977D-Lysine, N2-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-DTXSID20179368N~2~-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-D-lysine(2R)-6-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]hexanoic acid
Database identifiers
- CAS
246224-40-8- PubChem CID
- 456136
- DTXSID
DTXSID20179368
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 646
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Compound notes
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