MOLI000886
Molecular Formula:
C19H20N4O5Tc
InChI: InChI=1/C19H20N4O5.Tc/c1-12-14(8-20)19(21-15(12)7-13-5-3-2-4-6-13)22-16(24)9-23(10-17(25)26)11-18(27)28;/h2-6,21H,7,9-11H2,1H3,(H,22,24)(H,25,26)(H,27,28);/i;1+1/f/h22,25,27H;
InChIKey: InChIKey=SVJVHTRLBCBYHQ-FDRNZSDNGG
SMILES: CC1=C(NC(=C1C#N)NC(=O)CN(CC(=O)O)CC(=O)O)CC2=CC=CC=C2.[Tc]
Names:
MOLI000886
2-[(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)carbamoylmethyl-(carboxymethyl)amino]acetic acid; technetium
Registries:
PubChem CID 450449
PubChem ID 866
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