4-methyl-2-[2-[2-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]phenyl]ethanoylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[2-[2-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]phenyl]ethanoylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-[2-[(2-phenylsulfanylpyridine-3-carbonyl)amino]phenyl]acetyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-[2-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]phenyl]ethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-[2-[(2-phenylsulfanylpyridine-3-carbonyl)amino]phenyl]acetyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-[2-[[2-(phenylthio)nicotinoyl]amino]phenyl]acetyl]amino]valeric acid Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CC1=CC=CC=C1NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CC1=CC=CC=C1NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S/c1-17(2)15-22(26(32)33)28-23(30)16-18-9-6-7-13-21(18)29-24(31)20-12-8-14-27-25(20)34-19-10-4-3-5-11-19/h3-14,17,22H,15-16H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)