[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClN2O4/c1-12(2)19(23-20(26)15-8-6-7-9-17(15)22)21(27)28-11-18(25)16-10-13(3)24(5)14(16)4/h6-10,12,19H,11H2,1-5H3,(H,23,26)/t19-/m0/s1