2-[2,4-bis(azanyl)-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[2,4-bis(azanyl)-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]sulfanylpropanoic acid Openeye Name: 2-[2,4-diamino-5-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl]sulfanylpropanoic acid CAS Name: 2-[[2,4-diamino-5-[(1-hydroxy-1-oxopropan-2-yl)thio]phenyl]thio]propanoic acid IUPAC Name: 2-[2,4-diamino-5-(1-hydroxy-1-oxopropan-2-yl)sulfanylphenyl]sulfanylpropanoic acid Traditional Name: 2-[[2,4-diamino-5-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]phenyl]thio]propionic acid Formula: C12H16N2O4S2 MolecularWeight: 316.39644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC(=C(C=C1N)N)SC(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)SC1=CC(=C(C=C1N)N)SC(C)C(=O)O

InChI

InChI=1S/C12H16N2O4S2/c1-5(11(15)16)19-9-4-10(8(14)3-7(9)13)20-6(2)12(17)18/h3-6H,13-14H2,1-2H3,(H,15,16)(H,17,18)