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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S/c1-16(2)14-22(26(32)33)29-23(30)18-11-12-21(17(3)15-18)28-24(31)20-10-7-13-27-25(20)34-19-8-5-4-6-9-19/h4-13,15-16,22H,14H2,1-3H3,(H,28,31)(H,29,30)(H,32,33)