2-acetamido-3-[2,6-diethanoyl-3,4-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[2,6-diethanoyl-3,4-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 2-acetamido-3-(2,6-diacetyl-3,4-dihydroxy-phenyl)propanoic acid CAS Name: 2-acetamido-3-(2,6-diacetyl-3,4-dihydroxyphenyl)propanoic acid IUPAC Name: 2-acetamido-3-(2,6-diacetyl-3,4-dihydroxyphenyl)propanoic acid Traditional Name: 2-acetamido-3-(2,6-diacetyl-3,4-dihydroxy-phenyl)propionic acid Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1CC(C(=O)O)NC(=O)C)C(=O)C)O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C(=C1CC(C(=O)O)NC(=O)C)C(=O)C)O)O

InChI

InChI=1S/C15H17NO7/c1-6(17)9-5-12(20)14(21)13(7(2)18)10(9)4-11(15(22)23)16-8(3)19/h5,11,20-21H,4H2,1-3H3,(H,16,19)(H,22,23)