4-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)amino]-4-oxidanylidene-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid

Systemtic Name: 4-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)amino]-4-oxidanylidene-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid Openeye Name: 4-[[1-(hydroxymethyl)-2,2-dimethyl-propyl]amino]-4-oxo-2-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butanoic acid CAS Name: 4-[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-4-oxo-2-[3-(4-pyridin-4-ylphenyl)-1-pyrrolyl]butanoic acid IUPAC Name: 4-[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-4-oxo-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid Traditional Name: 4-[(2,2-dimethyl-1-methylol-propyl)amino]-4-keto-2-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butyric acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)NC(=O)CC(C(=O)O)N1C=CC(=C1)C2=CC=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C(CO)NC(=O)CC(C(=O)O)N1C=CC(=C1)C2=CC=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C25H29N3O4/c1-25(2,3)22(16-29)27-23(30)14-21(24(31)32)28-13-10-20(15-28)18-6-4-17(5-7-18)19-8-11-26-12-9-19/h4-13,15,21-22,29H,14,16H2,1-3H3,(H,27,30)(H,31,32)