4-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-4-oxidanylidene-2-[2-(4-phenylphenyl)pyrrol-1-yl]butanoic acid

Systemtic Name: 4-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-4-oxidanylidene-2-[2-(4-phenylphenyl)pyrrol-1-yl]butanoic acid Openeye Name: 4-[(1-acetyl-3-methyl-butyl)amino]-4-oxo-2-[2-(4-phenylphenyl)pyrrol-1-yl]butanoic acid CAS Name: 4-[(5-methyl-2-oxohexan-3-yl)amino]-4-oxo-2-[2-(4-phenylphenyl)-1-pyrrolyl]butanoic acid IUPAC Name: 4-[(5-methyl-2-oxohexan-3-yl)amino]-4-oxo-2-[2-(4-phenylphenyl)pyrrol-1-yl]butanoic acid Traditional Name: 4-[(1-acetyl-3-methyl-butyl)amino]-4-keto-2-[2-(4-phenylphenyl)pyrrol-1-yl]butyric acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(=O)CC(C(=O)O)N1C=CC=C1C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)C)NC(=O)CC(C(=O)O)N1C=CC=C1C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H30N2O4/c1-18(2)16-23(19(3)30)28-26(31)17-25(27(32)33)29-15-7-10-24(29)22-13-11-21(12-14-22)20-8-5-4-6-9-20/h4-15,18,23,25H,16-17H2,1-3H3,(H,28,31)(H,32,33)