Molecule ID: 136226467

IUPAC Name: (2S,3R)-2-amino-3-[(4S)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-3-hydroxypropanoic acid

Description: The molecule is a non-proteinogenic L-alpha-amino acid that is L-serine substituted at position 3 by a 2-iminoimidazolidin-4-yl group. It is a member of imidazolidines, a non-proteinogenic L-alpha-amino acid, a L-arginine derivative and a L-histidine derivative. It is a conjugate base of a (3S)-3-hydroxy-L-enduracididine(1+).

SMILES: N=C1NC[C@@H]([C@H](O)[C@H](N)C(=O)O)N1

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

InChI: InChI=1S/C6H12N4O3/c7-3(5(12)13)4(11)2-1-9-6(8)10-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3-,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: -5.5