3-(3,5-dimethoxy-4-phenyl-phenyl)-2-[(4,4-dimethyl-3-oxidanylidene-2-propan-2-ylsulfanyl-cyclobuten-1-yl)amino]propanoic acid

Systemtic Name: 3-(3,5-dimethoxy-4-phenyl-phenyl)-2-[(4,4-dimethyl-3-oxidanylidene-2-propan-2-ylsulfanyl-cyclobuten-1-yl)amino]propanoic acid Openeye Name: 3-(3,5-dimethoxy-4-phenyl-phenyl)-2-[(2-isopropylsulfanyl-4,4-dimethyl-3-oxo-cyclobuten-1-yl)amino]propanoic acid CAS Name: 3-(3,5-dimethoxy-4-phenylphenyl)-2-[[4,4-dimethyl-3-oxo-2-(propan-2-ylthio)-1-cyclobutenyl]amino]propanoic acid IUPAC Name: 3-(3,5-dimethoxy-4-phenylphenyl)-2-[(4,4-dimethyl-3-oxo-2-propan-2-ylsulfanylcyclobuten-1-yl)amino]propanoic acid Traditional Name: 3-(3,5-dimethoxy-4-phenyl-phenyl)-2-[[2-(isopropylthio)-3-keto-4,4-dimethyl-cyclobuten-1-yl]amino]propionic acid Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C(C1=O)(C)C)NC(CC2=CC(=C(C(=C2)OC)C3=CC=CC=C3)OC)C(=O)O

Isomeric SMILES

CC(C)SC1=C(C(C1=O)(C)C)NC(CC2=CC(=C(C(=C2)OC)C3=CC=CC=C3)OC)C(=O)O

InChI

InChI=1S/C26H31NO5S/c1-15(2)33-22-23(26(3,4)24(22)28)27-18(25(29)30)12-16-13-19(31-5)21(20(14-16)32-6)17-10-8-7-9-11-17/h7-11,13-15,18,27H,12H2,1-6H3,(H,29,30)