2-azanyl-3-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2,3-dihydroxy-phenyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-[(2-amino-3-hydroxy-3-oxopropyl)thio]-2,3-dihydroxyphenyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-2,3-dihydroxyphenyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-[(2-amino-3-hydroxy-3-keto-propyl)thio]-2,3-dihydroxy-phenyl]thio]propionic acid Formula: C12H16N2O6S2 MolecularWeight: 348.39524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1SCC(C(=O)O)N)O)O)SCC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C(=C1SCC(C(=O)O)N)O)O)SCC(C(=O)O)N

InChI

InChI=1S/C12H16N2O6S2/c13-5(11(17)18)3-21-7-1-2-8(10(16)9(7)15)22-4-6(14)12(19)20/h1-2,5-6,15-16H,3-4,13-14H2,(H,17,18)(H,19,20)