2-[[4-[[(4-methylpyridin-3-yl)amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[[(4-methylpyridin-3-yl)amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[(4-methyl-3-pyridyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[(4-methyl-3-pyridinyl)amino]methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[(4-methylpyridin-3-yl)amino]methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[(4-methyl-3-pyridyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NC=C1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3S/c1-17-10-12-26-16-23(17)27-15-18-8-9-20(21(14-18)19-6-4-3-5-7-19)24(29)28-22(25(30)31)11-13-32-2/h3-10,12,14,16,22,27H,11,13,15H2,1-2H3,(H,28,29)(H,30,31)