3-[3-(2-carboxyethylcarbamothioylamino)propylcarbamothioylamino]propanoic acid; oxygen(2-); rhenium

Systemtic Name: 3-[3-(2-carboxyethylcarbamothioylamino)propylcarbamothioylamino]propanoic acid; oxygen(2-); rhenium Openeye Name: 3-[3-(2-carboxyethylcarbamothioylamino)propylcarbamothioylamino]propanoic acid; oxygen(2-); rhenium CAS Name: 3-[[[3-[[(2-carboxyethylamino)-sulfanylidenemethyl]amino]propylamino]-sulfanylidenemethyl]amino]propanoic acid; oxygen(2-); rhenium IUPAC Name: 3-[3-(2-carboxyethylcarbamothioylamino)propylcarbamothioylamino]propanoic acid; oxygen(2-); rhenium Traditional Name: 3-[3-(2-carboxyethylthiocarbamoylamino)propylthiocarbamoylamino]propionic acid; oxygen(2-); rhenium Formula: C11H20N4O5ReS2-2 MolecularWeight: 538.6373

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=S)NCCC(=O)O)CNC(=S)NCCC(=O)O.[O-2].[Re]

Isomeric SMILES

C(CNC(=S)NCCC(=O)O)CNC(=S)NCCC(=O)O.[O-2].[Re]

InChI

InChI=1S/C11H20N4O4S2.O.Re/c16-8(17)2-6-14-10(20)12-4-1-5-13-11(21)15-7-3-9(18)19;;/h1-7H2,(H,16,17)(H,18,19)(H2,12,14,20)(H2,13,15,21);;/q;-2;