3-[[4-(4-dibenzothiophen-4-ylphenyl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[[4-(4-dibenzothiophen-4-ylphenyl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[[4-(4-dibenzothiophen-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-[4-(4-dibenzothiophenyl)phenyl]phenyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(4-dibenzothiophen-4-ylphenyl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[4-(4-dibenzothiophen-4-ylphenyl)benzyl]thio]propionic acid Formula: C33H31NO4S2 MolecularWeight: 569.73354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC4=C3SC5=CC=CC=C45)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC4=C3SC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C33H31NO4S2/c1-33(2,3)38-32(37)34-28(31(35)36)20-39-19-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25-8-6-9-27-26-7-4-5-10-29(26)40-30(25)27/h4-18,28H,19-20H2,1-3H3,(H,34,37)(H,35,36)