2-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]ethanoic acid; technetium; hydrate

Systemtic Name: 2-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]ethanoic acid; technetium; hydrate Openeye Name: 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid; technetium; hydrate CAS Name: 2-[[2-[[2-[(2-mercapto-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid; technetium; hydrate IUPAC Name: 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid; technetium; hydrate Traditional Name: 2-[[2-[[2-[(2-mercaptoacetyl)amino]acetyl]amino]acetyl]amino]acetic acid; technetium; hydrate Formula: C8H15N3O6STc MolecularWeight: 379.193416

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)NCC(=O)O)NC(=O)CNC(=O)CS.O.[Tc]

Isomeric SMILES

C(C(=O)NCC(=O)O)NC(=O)CNC(=O)CS.O.[Tc]

InChI

InChI=1S/C8H13N3O5S.H2O.Tc/c12-5(2-10-7(14)4-17)9-1-6(13)11-3-8(15)16;;/h17H,1-4H2,(H,9,12)(H,10,14)(H,11,13)(H,15,16);1H2;