(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(3,4,5-trimethoxyphenyl)butanamide

Systemtic Name: (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(3,4,5-trimethoxyphenyl)butanamide Openeye Name: (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(3,4,5-trimethoxyphenyl)butanamide CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)butanamide IUPAC Name: (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(3,4,5-trimethoxyphenyl)butanamide Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-(3,4,5-trimethoxyphenyl)butyramide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O6S/c1-27-18-12-15(13-19(28-2)21(18)29-3)23-22(26)17(10-11-31-4)24-20(25)14-30-16-8-6-5-7-9-16/h5-9,12-13,17H,10-11,14H2,1-4H3,(H,23,26)(H,24,25)/t17-/m0/s1