2-[2-[(1-oxidanidyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethylamino]-3-sulfanyl-propanoate; rhenium

Systemtic Name: 2-[2-[(1-oxidanidyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethylamino]-3-sulfanyl-propanoate; rhenium Openeye Name: 2-[2-[[2-oxido-2-oxo-1-(sulfanylmethyl)ethyl]amino]ethylamino]-3-sulfanyl-propanoate; rhenium CAS Name: 3-mercapto-2-[2-[(3-mercapto-1-oxido-1-oxopropan-2-yl)amino]ethylamino]propanoate; rhenium IUPAC Name: 2-[2-[(1-oxido-1-oxo-3-sulfanylpropan-2-yl)amino]ethylamino]-3-sulfanylpropanoate; rhenium Traditional Name: 2-[2-[[2-keto-1-(mercaptomethyl)-2-oxido-ethyl]amino]ethylamino]-3-mercapto-propionate; rhenium Formula: C56H98N14O28Re2S14-14 MolecularWeight: 2236.77832

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].[Re].[Re]

Isomeric SMILES

C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].[Re].[Re]

InChI

InChI=1S/7C8H16N2O4S2.2Re/c7*11-7(12)5(3-15)9-1-2-10-6(4-16)8(13)14;;/h7*5-6,9-10,15-16H,1-4H2,(H,11,12)(H,13,14);;/p-14