3-(6-azabicyclo[5.4.0]undeca-5,7,9,11-tetraen-5-ylamino)propanoic acid hydrate

Molecular Formula: C₁₃H₁₈N₂O₃

InChI: InChI=1/C13H16N2O2.H2O/c16-13(17)8-9-14-12-7-3-5-10-4-1-2-6-11(10)15-12;/h1-2,4,6H,3,5,7-9H2,(H,14,15)(H,16,17);1H2/f/h14,16H;

InChIKey: InChIKey=CTDGZGGSOJJRLW-DJRDODLNCR
SMILES: C1CC2=CC=CC=C2N=C(C1)NCCC(=O)O.O

Names:
    3-(6-azabicyclo[5.4.0]undeca-5,7,9,11-tetraen-5-ylamino)propanoic acid hydrate

Registries:
    PubChem CID 2836473
    PubChem ID 3311629