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

Systemtic Name: 4-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-4-oxidanylidene-3-[3-(4-phenylphenyl)pyrrol-1-yl]butanoic acid Openeye Name: 4-[(1-acetyl-3-methyl-butyl)amino]-4-oxo-3-[3-(4-phenylphenyl)pyrrol-1-yl]butanoic acid CAS Name: 4-[(5-methyl-2-oxohexan-3-yl)amino]-4-oxo-3-[3-(4-phenylphenyl)-1-pyrrolyl]butanoic acid IUPAC Name: 4-[(5-methyl-2-oxohexan-3-yl)amino]-4-oxo-3-[3-(4-phenylphenyl)pyrrol-1-yl]butanoic acid Traditional Name: 4-[(1-acetyl-3-methyl-butyl)amino]-4-keto-3-[3-(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)C(CC(=O)O)N1C=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)C)NC(=O)C(CC(=O)O)N1C=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

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