Molecule ID: 17750123

IUPAC Name: (2S)-2-amino-5-[(5-hydroxy-4,6-dimethylpyrimidin-2-yl)amino]pentanoic acid

Description: The molecule is a member of the class of hydroxypyrimidines obtained by cyclocondensation of L-arginine and methylglyoxal; a methyl glyoxal-derived advanced glycation end-product (AGE) in familial amyloidotic polyneuropathy and human cancers. It has a role as an epitope. It is a L-arginine derivative, a hydroxypyrimidine and a non-proteinogenic alpha-amino acid.

SMILES: Cc1nc(=NCCC[C@H](N)C(=O)O)[nH]c(C)c1O

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

InChI: InChI=1S/C11H18N4O3/c1-6-9(16)7(2)15-11(14-6)13-5-3-4-8(12)10(17)18/h8,16H,3-5,12H2,1-2H3,(H,17,18)(H,13,14,15)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -1.9