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

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C(C)NC(=O)COC2=CC=CC=C2)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)[C@H](C)NC(=O)COC2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O5/c1-5-23-14(2)11-18(16(23)4)19(24)12-28-21(26)15(3)22-20(25)13-27-17-9-7-6-8-10-17/h6-11,15H,5,12-13H2,1-4H3,(H,22,25)/t15-/m0/s1