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

Systemtic Name: 2-azanyl-3-[5-(2-azanylethyl)-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[5-(2-aminoethyl)-2,3-dihydroxy-phenyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[5-(2-aminoethyl)-2,3-dihydroxyphenyl]thio]propanoic acid IUPAC Name: 2-amino-3-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[5-(2-aminoethyl)-2,3-dihydroxy-phenyl]thio]propionic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)