(2S)-N-[(2-methylphenyl)methyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-[(2-methylphenyl)methyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-4-methylsulfanyl-N-(o-tolylmethyl)-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[(2-methylphenyl)methyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[(2-methylphenyl)methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(2-methylbenzyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-16-8-6-7-9-17(16)14-22-21(25)19(12-13-27-2)23-20(24)15-26-18-10-4-3-5-11-18/h3-11,19H,12-15H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1