3-ethanoylsulfanyl-4-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-6-methyl-heptanoic acid

Systemtic Name: 3-ethanoylsulfanyl-4-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-6-methyl-heptanoic acid Openeye Name: 3-acetylsulfanyl-4-[[1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-methyl-heptanoic acid CAS Name: 3-(acetylthio)-4-[[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-6-methylheptanoic acid IUPAC Name: 3-acetylsulfanyl-4-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-6-methylheptanoic acid Traditional Name: 3-(acetylthio)-4-[[2-keto-2-(methylamino)-1-p-anisyl-ethyl]carbamoyl]-6-methyl-enanthic acid Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O6S/c1-13(2)10-17(19(12-20(26)27)31-14(3)25)21(28)24-18(22(29)23-4)11-15-6-8-16(30-5)9-7-15/h6-9,13,17-19H,10-12H2,1-5H3,(H,23,29)(H,24,28)(H,26,27)