3-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]benzoic acid CAS Name: 3-[[(2R)-2-acetamido-3-mercapto-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]benzoic acid Traditional Name: 3-[[(2R)-2-acetamido-3-mercapto-propanoyl]amino]benzoic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-7(15)13-10(6-19)11(16)14-9-4-2-3-8(5-9)12(17)18/h2-5,10,19H,6H2,1H3,(H,13,15)(H,14,16)(H,17,18)/t10-/m0/s1