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

Systemtic Name: 3-[[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]propionic acid Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-8-5-10(17)6-9(2)11(8)7-12(15)14(20)16-4-3-13(18)19/h5-6,12,17H,3-4,7,15H2,1-2H3,(H,16,20)(H,18,19)/t12-/m0/s1