(3S)-3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-oxidanylidene-7-phenyl-heptanoic acid

Systemtic Name: (3S)-3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-oxidanylidene-7-phenyl-heptanoic acid Openeye Name: (3S)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-7-phenyl-heptanoic acid CAS Name: (3S)-3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-oxo-7-phenylheptanoic acid IUPAC Name: (3S)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-7-phenylheptanoic acid Traditional Name: (3S)-3-[(5-bromonicotinoyl)amino]-4-keto-7-phenyl-enanthic acid Formula: C19H19BrN2O4 MolecularWeight: 419.26916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)C(CC(=O)O)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)[C@H](CC(=O)O)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C19H19BrN2O4/c20-15-9-14(11-21-12-15)19(26)22-16(10-18(24)25)17(23)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9,11-12,16H,4,7-8,10H2,(H,22,26)(H,24,25)/t16-/m0/s1