disodium 3-[[3-oxidanidyl-3-oxidanylidene-2-(prop-2-enoylamino)propyl]disulfanyl]-2-(prop-2-enoylamino)propanoate

Systemtic Name: disodium 3-[[3-oxidanidyl-3-oxidanylidene-2-(prop-2-enoylamino)propyl]disulfanyl]-2-(prop-2-enoylamino)propanoate Openeye Name: disodium 3-[[3-oxido-3-oxo-2-(prop-2-enoylamino)propyl]disulfanyl]-2-(prop-2-enoylamino)propanoate CAS Name: disodium 3-[[3-oxido-3-oxo-2-(1-oxoprop-2-enylamino)propyl]disulfanyl]-2-(1-oxoprop-2-enylamino)propanoate IUPAC Name: disodium 3-[[3-oxido-3-oxo-2-(prop-2-enoylamino)propyl]disulfanyl]-2-(prop-2-enoylamino)propanoate Traditional Name: disodium 2-acrylamido-3-[(2-acrylamido-3-keto-3-oxido-propyl)disulfanyl]propionate Formula: C12H14N2Na2O6S2 MolecularWeight: 392.3589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S2.2Na/c1-3-9(15)13-7(11(17)18)5-21-22-6-8(12(19)20)14-10(16)4-2;;/h3-4,7-8H,1-2,5-6H2,(H,13,15)(H,14,16)(H,17,18)(H,19,20);;/q;2*+1/p-2