Molecule ID: 49852375

IUPAC Name: (2S)-2-amino-5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentanoic acid

Description: The molecule is an N-substituted pyrraline formed via Maillard reaction of L-ornithine with glucose. It is a non-proteinogenic L-alpha-amino acid and a N-substituted pyrraline.

SMILES: N[C@@H](CCCn1c(C=O)ccc1CO)C(=O)O

SELFIES: [N][C@@H1][Branch1][P][C][C][C][N][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][#Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H16N2O4/c12-10(11(16)17)2-1-5-13-8(6-14)3-4-9(13)7-15/h3-4,6,10,15H,1-2,5,7,12H2,(H,16,17)/t10-/m0/s1

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: -3.3