(2S)-2-azanyl-3-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-(3,4-dihydroxy-2,5-dimethyl-phenyl)propanoic acid CAS Name: (2S)-2-amino-3-(3,4-dihydroxy-2,5-dimethylphenyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxy-2,5-dimethylphenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(3,4-dihydroxy-2,5-dimethyl-phenyl)propionic acid Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=C(C(=C1)C[C@@H](C(=O)O)N)C)O)O

InChI

InChI=1S/C11H15NO4/c1-5-3-7(4-8(12)11(15)16)6(2)10(14)9(5)13/h3,8,13-14H,4,12H2,1-2H3,(H,15,16)/t8-/m0/s1