[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate CAS Name: (2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate Traditional Name: (2S)-2-(pivaloylamino)propionic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C(C)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C

InChI

InChI=1S/C24H32N2O4/c1-16-14-20(18(3)26(16)13-12-19-10-8-7-9-11-19)21(27)15-30-22(28)17(2)25-23(29)24(4,5)6/h7-11,14,17H,12-13,15H2,1-6H3,(H,25,29)/t17-/m0/s1