2-[[4-[4-(4-chloranylphenoxy)phenyl]-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[4-(4-chloranylphenoxy)phenyl]-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-[4-(4-chlorophenoxy)phenyl]-2-methyl-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-4-[4-(4-chlorophenoxy)phenyl]-2-methyl-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-[4-(4-chlorophenoxy)phenyl]-2-methyl-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-[4-(4-chlorophenoxy)phenyl]-4-keto-2-methyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C28H26ClNO6S MolecularWeight: 540.02714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)SC(=O)C)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)SC(=O)C)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H26ClNO6S/c1-17(27(33)30-24(28(34)35)16-19-6-4-3-5-7-19)26(37-18(2)31)25(32)20-8-12-22(13-9-20)36-23-14-10-21(29)11-15-23/h3-15,17,24,26H,16H2,1-2H3,(H,30,33)(H,34,35)