(2R,3S)-2-azanyl-3-(2,6-dimethylphenyl)butanoic acid; ethanoic acid

Systemtic Name: (2R,3S)-2-azanyl-3-(2,6-dimethylphenyl)butanoic acid; ethanoic acid Openeye Name: acetic acid; (2R,3S)-2-amino-3-(2,6-dimethylphenyl)butanoic acid CAS Name: acetic acid; (2R,3S)-2-amino-3-(2,6-dimethylphenyl)butanoic acid IUPAC Name: acetic acid; (2R,3S)-2-amino-3-(2,6-dimethylphenyl)butanoic acid Traditional Name: acetic acid; (2R,3S)-2-amino-3-(2,6-dimethylphenyl)butyric acid Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2.C2H4O2/c1-7-5-4-6-8(2)10(7)9(3)11(13)12(14)15;1-2(3)4/h4-6,9,11H,13H2,1-3H3,(H,14,15);1H3,(H,3,4)/t9-,11+;/m0./s1