2-azanyl-3-[3-(oxiran-2-yl)-4-(sulfomethyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(oxiran-2-yl)-4-(sulfomethyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(oxiran-2-yl)-4-(sulfomethyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3-(2-oxiranyl)-4-(sulfomethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(oxiran-2-yl)-4-(sulfomethyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-(oxiran-2-yl)-4-(sulfomethyl)phenyl]propionic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C2=C(C=CC(=C2)CC(C(=O)O)N)CS(=O)(=O)O

Isomeric SMILES

C1C(O1)C2=C(C=CC(=C2)CC(C(=O)O)N)CS(=O)(=O)O

InChI

InChI=1S/C12H15NO6S/c13-10(12(14)15)4-7-1-2-8(6-20(16,17)18)9(3-7)11-5-19-11/h1-3,10-11H,4-6,13H2,(H,14,15)(H,16,17,18)