(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-homoveratryl-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2)OC

InChI

InChI=1S/C23H30N2O5S/c1-28-20-10-9-17(15-21(20)29-2)11-13-24-23(27)19(12-14-31-3)25-22(26)16-30-18-7-5-4-6-8-18/h4-10,15,19H,11-14,16H2,1-3H3,(H,24,27)(H,25,26)/t19-/m0/s1