3-[2,4-bis(azanyl)-5-(2-carboxyethylsulfanyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2,4-bis(azanyl)-5-(2-carboxyethylsulfanyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[2,4-diamino-5-(2-carboxyethylsulfanyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[2,4-diamino-5-(2-carboxyethylthio)phenyl]thio]propanoic acid IUPAC Name: 3-[2,4-diamino-5-(2-carboxyethylsulfanyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[2,4-diamino-5-(2-carboxyethylthio)phenyl]thio]propionic acid Formula: C12H16N2O4S2 MolecularWeight: 316.39644

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N)SCCC(=O)O)SCCC(=O)O)N

Isomeric SMILES

C1=C(C(=CC(=C1N)SCCC(=O)O)SCCC(=O)O)N

InChI

InChI=1S/C12H16N2O4S2/c13-7-5-8(14)10(20-4-2-12(17)18)6-9(7)19-3-1-11(15)16/h5-6H,1-4,13-14H2,(H,15,16)(H,17,18)