methyl (2S)-4-methylsulfanyl-2-(3-pyrrol-1-ylpropanoylamino)butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-(3-pyrrol-1-ylpropanoylamino)butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-(3-pyrrol-1-ylpropanoylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(1-pyrrolyl)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-(3-pyrrol-1-ylpropanoylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(3-pyrrol-1-ylpropanoylamino)butyric acid methyl ester Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCN1C=CC=C1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCN1C=CC=C1

InChI

InChI=1S/C13H20N2O3S/c1-18-13(17)11(6-10-19-2)14-12(16)5-9-15-7-3-4-8-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,14,16)/t11-/m0/s1