3-[3-[2-(4-cyanophenyl)ethanoyl]pyrrol-1-yl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[3-[2-(4-cyanophenyl)ethanoyl]pyrrol-1-yl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[3-[2-(4-cyanophenyl)acetyl]pyrrol-1-yl]-4-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]amino]-4-oxo-butanoic acid CAS Name: 3-[3-[2-(4-cyanophenyl)-1-oxoethyl]-1-pyrrolyl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[3-[2-(4-cyanophenyl)acetyl]pyrrol-1-yl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[3-[2-(4-cyanophenyl)acetyl]pyrrol-1-yl]-4-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]amino]-4-keto-butyric acid Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC)NC(=O)C(CC(=O)O)N1C=CC(=C1)C(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C(C(=O)NC)NC(=O)C(CC(=O)O)N1C=CC(=C1)C(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C24H28N4O5/c1-24(2,3)21(23(33)26-4)27-22(32)18(12-20(30)31)28-10-9-17(14-28)19(29)11-15-5-7-16(13-25)8-6-15/h5-10,14,18,21H,11-12H2,1-4H3,(H,26,33)(H,27,32)(H,30,31)