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

Systemtic Name: 2-[[2-chloranyl-4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-chloro-4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[2-chloro-4-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-chloro-4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]benzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-chloro-4-[[2-(phenylthio)nicotinoyl]amino]benzoyl]amino]-4-methyl-valeric acid Formula: C25H24ClN3O4S MolecularWeight: 497.99376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O4S/c1-15(2)13-21(25(32)33)29-22(30)18-11-10-16(14-20(18)26)28-23(31)19-9-6-12-27-24(19)34-17-7-4-3-5-8-17/h3-12,14-15,21H,13H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)