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

Systemtic Name: 4-[[1-[(4-ethoxycarbonylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-3-pyrrol-1-yl-butanoic acid Openeye Name: 4-[[1-[(4-ethoxycarbonylphenyl)carbamoyl]-3-methyl-butyl]amino]-4-oxo-3-pyrrol-1-yl-butanoic acid CAS Name: 4-[[1-(4-ethoxycarbonylanilino)-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(1-pyrrolyl)butanoic acid IUPAC Name: 4-[[1-(4-ethoxycarbonylanilino)-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-pyrrol-1-ylbutanoic acid Traditional Name: 4-[[1-[(4-carbethoxyphenyl)carbamoyl]-3-methyl-butyl]amino]-4-keto-3-pyrrol-1-yl-butyric acid Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6/c1-4-32-23(31)16-7-9-17(10-8-16)24-21(29)18(13-15(2)3)25-22(30)19(14-20(27)28)26-11-5-6-12-26/h5-12,15,18-19H,4,13-14H2,1-3H3,(H,24,29)(H,25,30)(H,27,28)