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

Systemtic Name: 2-azanyl-2-[4-[[(4-methylpyridin-3-yl)amino]methyl]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-[[(4-methyl-3-pyridyl)amino]methyl]-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-[[(4-methyl-3-pyridinyl)amino]methyl]-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[[(4-methylpyridin-3-yl)amino]methyl]-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[[(4-methyl-3-pyridyl)amino]methyl]-2-phenyl-benzoyl]-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)C(CCSC)(C(=O)O)N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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