4-[[1-[(4-ethanoylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-3-pyrrol-1-yl-butanoic acid

Systemtic Name: 4-[[1-[(4-ethanoylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-3-pyrrol-1-yl-butanoic acid Openeye Name: 4-[[1-[(4-acetylphenyl)carbamoyl]-3-methyl-butyl]amino]-4-oxo-3-pyrrol-1-yl-butanoic acid CAS Name: 4-[[1-(4-acetylanilino)-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(1-pyrrolyl)butanoic acid IUPAC Name: 4-[[1-(4-acetylanilino)-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-pyrrol-1-ylbutanoic acid Traditional Name: 4-[[1-[(4-acetylphenyl)carbamoyl]-3-methyl-butyl]amino]-4-keto-3-pyrrol-1-yl-butyric acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C(CC(=O)O)N2C=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C(CC(=O)O)N2C=CC=C2

InChI

InChI=1S/C22H27N3O5/c1-14(2)12-18(21(29)23-17-8-6-16(7-9-17)15(3)26)24-22(30)19(13-20(27)28)25-10-4-5-11-25/h4-11,14,18-19H,12-13H2,1-3H3,(H,23,29)(H,24,30)(H,27,28)