[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C(C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5/c1-11-17(14(4)24)12(2)22-18(11)19(25)15(5)28-21(27)13(3)23-20(26)16-9-7-6-8-10-16/h6-10,13,15,22H,1-5H3,(H,23,26)/t13-,15-/m0/s1