3-[2-(2-hydroxyethylamino)-4,5-bis(oxidanyl)phenyl]-2-(methylamino)propanoic acid

Systemtic Name: 3-[2-(2-hydroxyethylamino)-4,5-bis(oxidanyl)phenyl]-2-(methylamino)propanoic acid Openeye Name: 3-[4,5-dihydroxy-2-(2-hydroxyethylamino)phenyl]-2-(methylamino)propanoic acid CAS Name: 3-[4,5-dihydroxy-2-(2-hydroxyethylamino)phenyl]-2-(methylamino)propanoic acid IUPAC Name: 3-[4,5-dihydroxy-2-(2-hydroxyethylamino)phenyl]-2-(methylamino)propanoic acid Traditional Name: 3-[4,5-dihydroxy-2-(2-hydroxyethylamino)phenyl]-2-(methylamino)propionic acid Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC(=C(C=C1NCCO)O)O)C(=O)O

Isomeric SMILES

CNC(CC1=CC(=C(C=C1NCCO)O)O)C(=O)O

InChI

InChI=1S/C12H18N2O5/c1-13-9(12(18)19)4-7-5-10(16)11(17)6-8(7)14-2-3-15/h5-6,9,13-17H,2-4H2,1H3,(H,18,19)