2-[[2-(2-methylphenyl)-4-(4-phenyl-1,3-dioxolan-2-yl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(4-phenyl-1,3-dioxolan-2-yl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(4-phenyl-1,3-dioxolan-2-yl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(4-phenyl-1,3-dioxolan-2-yl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(4-phenyl-1,3-dioxolan-2-yl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(4-phenyl-1,3-dioxolan-2-yl)benzoyl]amino]butyric acid Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C3OCC(O3)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C3OCC(O3)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C28H29NO5S/c1-18-8-6-7-11-21(18)23-16-20(28-33-17-25(34-28)19-9-4-3-5-10-19)12-13-22(23)26(30)29-24(27(31)32)14-15-35-2/h3-13,16,24-25,28H,14-15,17H2,1-2H3,(H,29,30)(H,31,32)