(2R)-2-acetamido-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[(1-oxido-2-pyridin-1-iumyl)thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[(1-oxidopyridin-1-ium-2-yl)thio]propionic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC=[N+]1[O-])C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1=CC=CC=[N+]1[O-])C(=O)O

InChI

InChI=1S/C10H12N2O4S/c1-7(13)11-8(10(14)15)6-17-9-4-2-3-5-12(9)16/h2-5,8H,6H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1