N-[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-4-methyl-2-(2-methylpropyl)-3-sulfanyl-pentanamide

Systemtic Name: N-[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-4-methyl-2-(2-methylpropyl)-3-sulfanyl-pentanamide Openeye Name: 2-isobutyl-N-[(1S)-1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]-4-methyl-3-sulfanyl-pentanamide CAS Name: 3-mercapto-N-[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-4-methyl-2-(2-methylpropyl)pentanamide IUPAC Name: N-[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-4-methyl-2-(2-methylpropyl)-3-sulfanylpentanamide Traditional Name: 2-isobutyl-N-[(1S)-2-keto-2-(methylamino)-1-p-anisyl-ethyl]-3-mercapto-4-methyl-valeramide Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(C(C(C)C)S)C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)NC

InChI

InChI=1S/C21H34N2O3S/c1-13(2)11-17(19(27)14(3)4)20(24)23-18(21(25)22-5)12-15-7-9-16(26-6)10-8-15/h7-10,13-14,17-19,27H,11-12H2,1-6H3,(H,22,25)(H,23,24)/t17?,18-,19?/m0/s1