(2S)-2-azanyl-3-[3-(2,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3-(2,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[3-(2,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]propanoic acid CAS Name: (2S)-2-amino-3-[3-(2,4-dimethylphenyl)-1-methyl-4-pyrazolyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[3-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[3-(2,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]propionic acid Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2CC(C(=O)O)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C[C@@H](C(=O)O)N)C)C

InChI

InChI=1S/C15H19N3O2/c1-9-4-5-12(10(2)6-9)14-11(8-18(3)17-14)7-13(16)15(19)20/h4-6,8,13H,7,16H2,1-3H3,(H,19,20)/t13-/m0/s1