disodium 2-(3-sulfanylpropanoylamino)-3-sulfo-propanoate

Systemtic Name: disodium 2-(3-sulfanylpropanoylamino)-3-sulfo-propanoate Openeye Name: disodium 2-(3-sulfanylpropanoylamino)-3-sulfo-propanoate CAS Name: disodium 2-[(3-mercapto-1-oxopropyl)amino]-3-sulfopropanoate IUPAC Name: disodium 2-(3-sulfanylpropanoylamino)-3-sulfopropanoate Traditional Name: disodium 2-(3-mercaptopropanoylamino)-3-sulfo-propionate Formula: C12H20N2Na2O12S4 MolecularWeight: 558.53294

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Descriptors Computed from Structure

Canonical SMILES:

C(CS)C(=O)NC(CS(=O)(=O)O)C(=O)[O-].C(CS)C(=O)NC(CS(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C(CS)C(=O)NC(CS(=O)(=O)O)C(=O)[O-].C(CS)C(=O)NC(CS(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C6H11NO6S2.2Na/c2*8-5(1-2-14)7-4(6(9)10)3-15(11,12)13;;/h2*4,14H,1-3H2,(H,7,8)(H,9,10)(H,11,12,13);;/q;;2*+1/p-2