(2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-azanyl-2-oxidanyl-benzoic acid

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-azanyl-2-oxidanyl-benzoic acid Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-amino-2-hydroxy-benzoic acid CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 5-amino-2-hydroxybenzoic acid IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 5-amino-2-hydroxybenzoic acid Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; 5-amino-2-hydroxy-benzoic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)O.C1=CC(=C(C=C1N)C(=O)O)O

InChI

InChI=1S/C7H7NO3.C5H9NO3S/c8-4-1-2-6(9)5(3-4)7(10)11;1-3(7)6-4(2-10)5(8)9/h1-3,9H,8H2,(H,10,11);4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;4-/m.0/s1