4-[(2,2-dimethyl-4-oxidanylidene-pentan-3-yl)amino]-4-oxidanylidene-3-(3-pyridin-4-ylpyrrol-1-yl)butanoic acid

Systemtic Name: 4-[(2,2-dimethyl-4-oxidanylidene-pentan-3-yl)amino]-4-oxidanylidene-3-(3-pyridin-4-ylpyrrol-1-yl)butanoic acid Openeye Name: 4-[(1-acetyl-2,2-dimethyl-propyl)amino]-4-oxo-3-[3-(4-pyridyl)pyrrol-1-yl]butanoic acid CAS Name: 4-[(2,2-dimethyl-4-oxopentan-3-yl)amino]-4-oxo-3-(3-pyridin-4-yl-1-pyrrolyl)butanoic acid IUPAC Name: 4-[(2,2-dimethyl-4-oxopentan-3-yl)amino]-4-oxo-3-(3-pyridin-4-ylpyrrol-1-yl)butanoic acid Traditional Name: 4-[(1-acetyl-2,2-dimethyl-propyl)amino]-4-keto-3-[3-(4-pyridyl)pyrrol-1-yl]butyric acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-13(24)18(20(2,3)4)22-19(27)16(11-17(25)26)23-10-7-15(12-23)14-5-8-21-9-6-14/h5-10,12,16,18H,11H2,1-4H3,(H,22,27)(H,25,26)