(3S)-3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-oxidanylidene-9-phenyl-nonanoic acid

Systemtic Name: (3S)-3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-oxidanylidene-9-phenyl-nonanoic acid Openeye Name: (3S)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-9-phenyl-nonanoic acid CAS Name: (3S)-3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-oxo-9-phenylnonanoic acid IUPAC Name: (3S)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-9-phenylnonanoic acid Traditional Name: (3S)-3-[(5-bromonicotinoyl)amino]-4-keto-9-phenyl-pelargonic acid Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4/c22-17-11-16(13-23-14-17)21(28)24-18(12-20(26)27)19(25)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,11,13-14,18H,2,5-6,9-10,12H2,(H,24,28)(H,26,27)/t18-/m0/s1