(2S)-N-(4-acetamidophenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(4-acetamidophenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(4-acetamidophenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-(4-acetamidophenyl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(4-acetamidophenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(4-acetamidophenyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4S/c1-15(25)22-16-8-10-17(11-9-16)23-21(27)19(12-13-29-2)24-20(26)14-28-18-6-4-3-5-7-18/h3-11,19H,12-14H2,1-2H3,(H,22,25)(H,23,27)(H,24,26)/t19-/m0/s1