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

Systemtic Name: 2-[[3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanoyl]amino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-2-methyl-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1,4-dioxo-4-(3,4,5-trimethoxyphenyl)butyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-2-methyl-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-2-methyl-4-(3,4,5-trimethoxyphenyl)butanoyl]amino]-3-(methylthio)propionic acid Formula: C20H27NO8S2 MolecularWeight: 473.56028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)SC(=O)C)C(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)SC(=O)C)C(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C20H27NO8S2/c1-10(19(24)21-13(9-30-6)20(25)26)18(31-11(2)22)16(23)12-7-14(27-3)17(29-5)15(8-12)28-4/h7-8,10,13,18H,9H2,1-6H3,(H,21,24)(H,25,26)