2-[2-(5-azanyl-2-oxidanyl-phenyl)carbonyloxyethanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[2-(5-azanyl-2-oxidanyl-phenyl)carbonyloxyethanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-(5-amino-2-hydroxy-benzoyl)oxyacetyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[(5-amino-2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-(5-amino-2-hydroxybenzoyl)oxyacetyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-(5-amino-2-hydroxy-benzoyl)oxyacetyl]amino]-3-mercapto-propionic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(=O)OCC(=O)NC(CS)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1N)C(=O)OCC(=O)NC(CS)C(=O)O)O

InChI

InChI=1S/C12H14N2O6S/c13-6-1-2-9(15)7(3-6)12(19)20-4-10(16)14-8(5-21)11(17)18/h1-3,8,15,21H,4-5,13H2,(H,14,16)(H,17,18)