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

Systemtic Name: (2S)-2-azanyl-3-[3-methyl-4,5-bis(oxidanyl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-(3,4-dihydroxy-5-methyl-phenyl)propanoic acid CAS Name: (2S)-2-amino-3-(3,4-dihydroxy-5-methylphenyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxy-5-methylphenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(3,4-dihydroxy-5-methyl-phenyl)propionic acid Formula: C10H13NO4 MolecularWeight: 211.21452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4/c1-5-2-6(3-7(11)10(14)15)4-8(12)9(5)13/h2,4,7,12-13H,3,11H2,1H3,(H,14,15)/t7-/m0/s1