[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O6S/c1-14-21(16(3)26)15(2)24-22(14)19(27)12-31-23(29)18(10-11-32-4)25-20(28)13-30-17-8-6-5-7-9-17/h5-9,18,24H,10-13H2,1-4H3,(H,25,28)/t18-/m0/s1