MOLI000885

Molecular Formula: C₁₃H₁₆N₄O₅Tc

InChI: InChI=1/C13H16N4O5.Tc/c1-7-8(2)15-13(9(7)3-14)16-10(18)4-17(5-11(19)20)6-12(21)22;/h15H,4-6H2,1-2H3,(H,16,18)(H,19,20)(H,21,22);/i;1+1/f/h16,19,21H;

InChIKey: InChIKey=LBAKJIBXKINDPK-CDJJTRLIGT
SMILES: CC1=C(NC(=C1C#N)NC(=O)CN(CC(=O)O)CC(=O)O)C.[Tc]

Names:
    MOLI000885
    2-[carboxymethyl-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)carbamoylmethyl]amino]acetic acid; technetium

Registries:
    PubChem CID 450448
    PubChem ID 865