6-[4-[[(2S)-2,6-diacetamidohexanoyl]amino]phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[[(2S)-2,6-diacetamidohexanoyl]amino]phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[4-[[(2S)-2,6-diacetamidohexanoyl]amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[4-[[(2S)-2,6-diacetamido-1-oxohexyl]amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[4-[[(2S)-2,6-diacetamidohexanoyl]amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 6-[4-[[(2S)-2,6-diacetamidohexanoyl]amino]phenyl]-2-keto-1H-pyridine-3-carboxylic acid Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCC(C(=O)NC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)NCCCC[C@@H](C(=O)NC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)O)NC(=O)C

InChI

InChI=1S/C22H26N4O6/c1-13(27)23-12-4-3-5-19(24-14(2)28)21(30)25-16-8-6-15(7-9-16)18-11-10-17(22(31)32)20(29)26-18/h6-11,19H,3-5,12H2,1-2H3,(H,23,27)(H,24,28)(H,25,30)(H,26,29)(H,31,32)/t19-/m0/s1