2-azanyl-2-methyl-3-(4-oxidanyl-3-sulfooxy-phenyl)propanoic acid

Systemtic Name: 2-azanyl-2-methyl-3-(4-oxidanyl-3-sulfooxy-phenyl)propanoic acid Openeye Name: 2-amino-3-(4-hydroxy-3-sulfooxy-phenyl)-2-methyl-propanoic acid CAS Name: 2-amino-3-(4-hydroxy-3-sulfooxyphenyl)-2-methylpropanoic acid IUPAC Name: 2-amino-3-(4-hydroxy-3-sulfooxyphenyl)-2-methylpropanoic acid Traditional Name: 2-amino-3-(4-hydroxy-3-sulfoxy-phenyl)-2-methyl-propionic acid Formula: C10H13NO7S MolecularWeight: 291.27772

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)OS(=O)(=O)O)(C(=O)O)N

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)OS(=O)(=O)O)(C(=O)O)N

InChI

InChI=1S/C10H13NO7S/c1-10(11,9(13)14)5-6-2-3-7(12)8(4-6)18-19(15,16)17/h2-4,12H,5,11H2,1H3,(H,13,14)(H,15,16,17)