4-oxidanylidene-4-[(2-oxidanylideneazepan-3-yl)amino]-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2-oxidanylideneazepan-3-yl)amino]-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanoic acid Openeye Name: 4-oxo-4-[(2-oxoazepan-3-yl)amino]-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanoic acid CAS Name: 4-oxo-4-[(2-oxo-3-azepanyl)amino]-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanoic acid IUPAC Name: 4-oxo-4-[(2-oxoazepan-3-yl)amino]-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanoic acid Traditional Name: 4-keto-4-[(2-ketoazepan-3-yl)amino]-3-[3-(4-phenylphenyl)-4-imidazolin-1-yl]butyric acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C(CC(=O)O)N2CN(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C(CC(=O)O)N2CN(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4/c30-23(31)16-22(25(33)27-21-8-4-5-13-26-24(21)32)29-15-14-28(17-29)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-3,6-7,9-12,14-15,21-22H,4-5,8,13,16-17H2,(H,26,32)(H,27,33)(H,30,31)