Molecule ID: 71581107

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

Description: The molecule is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of (3S)-3-hydroxy-L-enduracididine. It is a conjugate acid of a (3S)-3-hydroxy-L-enduracididine.

SMILES: N=C1NC[C@@H]([C@H](O)[C@H]([NH3+])C(=O)O)N1

SELFIES: [N][=C][N][C][C@@H1][Branch1][=C][C@H1][Branch1][C][O][C@H1][Branch1][C][NH3+1][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)/p+1/t2-,3-,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: -4.8