2-acetamido-3-(2-nitro-1-phenyl-ethyl)sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(2-nitro-1-phenyl-ethyl)sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(2-nitro-1-phenyl-ethyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[(2-nitro-1-phenylethyl)thio]propanoic acid IUPAC Name: 2-acetamido-3-(2-nitro-1-phenylethyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(2-nitro-1-phenyl-ethyl)thio]propionic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(C[N+](=O)[O-])C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC(C[N+](=O)[O-])C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-9(16)14-11(13(17)18)8-21-12(7-15(19)20)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,14,16)(H,17,18)