[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O4/c1-6-12-26-16(4)13-19(17(26)5)20(27)14-30-22(28)21(15(2)3)25-23(29)24-18-10-8-7-9-11-18/h6-11,13,15,21H,1,12,14H2,2-5H3,(H2,24,25,29)/t21-/m0/s1