2-(tert-butylcarbamoylamino)-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-(tert-butylcarbamoylamino)-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-(tert-butylcarbamoylamino)-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-[[(tert-butylamino)-oxomethyl]amino]-3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]propanoic acid IUPAC Name: 2-(tert-butylcarbamoylamino)-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-(tert-butylcarbamoylamino)-3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]propionic acid Formula: C33H32N2O4S MolecularWeight: 552.68318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=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)NC(=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/C33H32N2O4S/c1-33(2,3)35-32(38)34-28(31(36)37)20-40-19-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25-8-6-9-27-26-7-4-5-10-29(26)39-30(25)27/h4-18,28H,19-20H2,1-3H3,(H,36,37)(H2,34,35,38)