[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C18H19BrN2O3 MolecularWeight: 391.25906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=CC(=CN=C1)Br)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC(=CN=C1)Br)C2=CC=CC=C2

InChI

InChI=1S/C18H19BrN2O3/c1-12(14-6-4-3-5-7-14)9-21-17(22)13(2)24-18(23)15-8-16(19)11-20-10-15/h3-8,10-13H,9H2,1-2H3,(H,21,22)/t12-,13+/m1/s1