(2S)-2-(2-azanylethanoyl)-2-(4-fluoranyl-2-methyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: (2S)-2-(2-azanylethanoyl)-2-(4-fluoranyl-2-methyl-phenyl)piperazine-1-carboxylic acid Openeye Name: (2S)-2-(2-aminoacetyl)-2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid CAS Name: (2S)-2-(2-amino-1-oxoethyl)-2-(4-fluoro-2-methylphenyl)-1-piperazinecarboxylic acid IUPAC Name: (2S)-2-(2-aminoacetyl)-2-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid Traditional Name: (2S)-2-(4-fluoro-2-methyl-phenyl)-2-glycyl-piperazine-1-carboxylic acid Formula: C14H18FN3O3 MolecularWeight: 295.309423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2(CNCCN2C(=O)O)C(=O)CN

Isomeric SMILES

CC1=C(C=CC(=C1)F)[C@]2(CNCCN2C(=O)O)C(=O)CN

InChI

InChI=1S/C14H18FN3O3/c1-9-6-10(15)2-3-11(9)14(12(19)7-16)8-17-4-5-18(14)13(20)21/h2-3,6,17H,4-5,7-8,16H2,1H3,(H,20,21)/t14-/m1/s1