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

Systemtic Name: N'-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-(2-methylpropyl)-3-sulfanyl-pentanediamide Openeye Name: 2-isobutyl-N'-[1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]-3-sulfanyl-pentanediamide CAS Name: 3-mercapto-N'-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)pentanediamide IUPAC Name: N'-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-3-sulfanylpentanediamide Traditional Name: 2-isobutyl-N'-[2-keto-2-(methylamino)-1-p-anisyl-ethyl]-3-mercapto-glutaramide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/c1-12(2)9-15(19(21)25)17(28)11-18(24)23-16(20(26)22-3)10-13-5-7-14(27-4)8-6-13/h5-8,12,15-17,28H,9-11H2,1-4H3,(H2,21,25)(H,22,26)(H,23,24)