2-[[3-ethanoylsulfanyl-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-1,4-dioxo-4-(3,4,5-trimethoxyphenyl)butyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(3,4,5-trimethoxyphenyl)butanoyl]amino]-3-phenyl-propionic acid Formula: C24H27NO8S MolecularWeight: 489.53808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(=O)SC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C24H27NO8S/c1-14(26)34-20(22(28)16-11-18(31-2)23(33-4)19(12-16)32-3)13-21(27)25-17(24(29)30)10-15-8-6-5-7-9-15/h5-9,11-12,17,20H,10,13H2,1-4H3,(H,25,27)(H,29,30)