(2S)-N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2)C

InChI

InChI=1S/C21H27N3O4S/c1-14-11-15(2)23-20(26)17(14)12-22-21(27)18(9-10-29-3)24-19(25)13-28-16-7-5-4-6-8-16/h4-8,11,18H,9-10,12-13H2,1-3H3,(H,22,27)(H,23,26)(H,24,25)/t18-/m0/s1