2-[[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]acetic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NCC(=O)O)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)NCC(=O)O)N)C)O

InChI

InChI=1S/C13H18N2O4/c1-7-3-9(16)4-8(2)10(7)5-11(14)13(19)15-6-12(17)18/h3-4,11,16H,5-6,14H2,1-2H3,(H,15,19)(H,17,18)/t11-/m0/s1