(2S)-2-azanyl-3-[4-(dioxidanyl)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-(dioxidanyl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-(4-hydroperoxyphenyl)propanoic acid CAS Name: (2S)-2-amino-3-(4-hydroperoxyphenyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(4-hydroperoxyphenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(4-hydroperoxyphenyl)propionic acid Formula: C9H11NO4 MolecularWeight: 197.18794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)OO

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)OO

InChI

InChI=1S/C9H11NO4/c10-8(9(11)12)5-6-1-3-7(14-13)4-2-6/h1-4,8,13H,5,10H2,(H,11,12)/t8-/m0/s1