2-azanyl-3-[5-(2-azanyl-1-oxidanyl-ethyl)-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[5-(2-azanyl-1-oxidanyl-ethyl)-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[5-(2-amino-1-hydroxy-ethyl)-2,3-dihydroxy-phenyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[5-(2-amino-1-hydroxyethyl)-2,3-dihydroxyphenyl]thio]propanoic acid IUPAC Name: 2-amino-3-[5-(2-amino-1-hydroxyethyl)-2,3-dihydroxyphenyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[5-(2-amino-1-hydroxy-ethyl)-2,3-dihydroxy-phenyl]thio]propionic acid Formula: C11H16N2O5S MolecularWeight: 288.32014

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)C(CN)O

Isomeric SMILES

C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)C(CN)O

InChI

InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)