N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-(2-methylpropyl)-5-oxidanylidene-3-sulfanyl-hexanamide

Systemtic Name: N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-(2-methylpropyl)-5-oxidanylidene-3-sulfanyl-hexanamide Openeye Name: 2-isobutyl-N-[1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]-5-oxo-3-sulfanyl-hexanamide CAS Name: 3-mercapto-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-5-oxohexanamide IUPAC Name: N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-5-oxo-3-sulfanylhexanamide Traditional Name: 2-isobutyl-5-keto-N-[2-keto-2-(methylamino)-1-p-anisyl-ethyl]-3-mercapto-hexanamide Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-13(2)10-17(19(28)11-14(3)24)20(25)23-18(21(26)22-4)12-15-6-8-16(27-5)9-7-15/h6-9,13,17-19,28H,10-12H2,1-5H3,(H,22,26)(H,23,25)