2-[[(S)-(2-acetamido-5-bromanyl-phenyl)-phenyl-methyl]azaniumyl]ethanoate

Systemtic Name: 2-[[(S)-(2-acetamido-5-bromanyl-phenyl)-phenyl-methyl]azaniumyl]ethanoate Openeye Name: 2-[[(S)-(2-acetamido-5-bromo-phenyl)-phenyl-methyl]ammonio]acetate CAS Name: 2-[[(S)-(2-acetamido-5-bromophenyl)-phenylmethyl]ammonio]acetate IUPAC Name: 2-[[(S)-(2-acetamido-5-bromophenyl)-phenylmethyl]azaniumyl]acetate Traditional Name: 2-[[(S)-(2-acetamido-5-bromo-phenyl)-phenyl-methyl]ammonio]acetate Formula: C17H17BrN2O3 MolecularWeight: 377.23248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)[NH2+]CC(=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)Br)[C@H](C2=CC=CC=C2)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C17H17BrN2O3/c1-11(21)20-15-8-7-13(18)9-14(15)17(19-10-16(22)23)12-5-3-2-4-6-12/h2-9,17,19H,10H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1