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

Systemtic Name: 4-[[3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-2-(3-phenylpyrrol-1-yl)butanoic acid Openeye Name: 4-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]amino]-4-oxo-2-(3-phenylpyrrol-1-yl)butanoic acid CAS Name: 4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxo-2-(3-phenyl-1-pyrrolyl)butanoic acid IUPAC Name: 4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxo-2-(3-phenylpyrrol-1-yl)butanoic acid Traditional Name: 4-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]amino]-4-keto-2-(3-phenylpyrrol-1-yl)butyric acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-21(2,3)18(19(26)22-4)23-17(25)12-16(20(27)28)24-11-10-15(13-24)14-8-6-5-7-9-14/h5-11,13,16,18H,12H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)