Molecule ID: 136259617

IUPAC Name: (2R)-2-amino-6-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]hexanoic acid

Description: The molecule is a D-lysine derivative in which D-lysine is substituted on N(6) by a (2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl group. It is a D-lysine derivative and a D-alpha-amino acid. It derives from a 2-aminopteridin-4(3H)-one.

SMILES: N=c1nc(O)c2nc(CNCCCC[C@@H](N)C(=O)O)cnc2[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][O][C][=N][C][Branch1][S][C][N][C][C][C][C][C@@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][N][=C][Ring1][P][NH1][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C13H19N7O3/c14-8(12(22)23)3-1-2-4-16-5-7-6-17-10-9(18-7)11(21)20-13(15)19-10/h6,8,16H,1-5,14H2,(H,22,23)(H3,15,17,19,20,21)/t8-/m1/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: -4.5