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

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic 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)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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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)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5/c1-14(2)20(23-22(27)29-12-17-9-7-6-8-10-17)21(26)28-13-19(25)18-11-15(3)24(5)16(18)4/h6-11,14,20H,12-13H2,1-5H3,(H,23,27)/t20-/m0/s1