[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C(C(C)C)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4/c1-15(2)23(25-22(28)13-18-8-6-5-7-9-18)24(29)30-14-21(27)20-12-16(3)26(17(20)4)19-10-11-19/h5-9,12,15,19,23H,10-11,13-14H2,1-4H3,(H,25,28)/t23-/m0/s1