(2S)-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(3-hydroxy-4-methyl-benzoyl)amino]propanoic acid CAS Name: (2S)-2-[[(3-hydroxy-4-methylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(3-hydroxy-4-methylbenzoyl)amino]propanoic acid Traditional Name: (2S)-2-[(3-hydroxy-4-methyl-benzoyl)amino]propionic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-6-3-4-8(5-9(6)13)10(14)12-7(2)11(15)16/h3-5,7,13H,1-2H3,(H,12,14)(H,15,16)/t7-/m0/s1