3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-(3,3-dimethylbutanoylamino)propanoic acid

Systemtic Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-(3,3-dimethylbutanoylamino)propanoic acid Openeye Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-(3,3-dimethylbutanoylamino)propanoic acid CAS Name: 3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]-2-[(3,3-dimethyl-1-oxobutyl)amino]propanoic acid IUPAC Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-(3,3-dimethylbutanoylamino)propanoic acid Traditional Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]-2-(3,3-dimethylbutanoylamino)propionic acid Formula: C34H33NO4S MolecularWeight: 551.69512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC(CSCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NC(CSCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C34H33NO4S/c1-34(2,3)19-31(36)35-29(33(37)38)21-40-20-22-11-13-23(14-12-22)24-15-17-25(18-16-24)26-8-6-9-28-27-7-4-5-10-30(27)39-32(26)28/h4-18,29H,19-21H2,1-3H3,(H,35,36)(H,37,38)