3-[[1-(3-methylphenyl)carbonyl-3-phenoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(3-methylphenyl)carbonyl-3-phenoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(3-methylbenzoyl)-3-phenoxycarbonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methylphenyl)-oxomethyl]-3-[oxo(phenoxy)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-methylbenzoyl)-3-phenoxycarbonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-carbophenoxy-3-m-toluoyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C28H26N4O8 MolecularWeight: 546.52804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H26N4O8/c1-18-7-5-9-20(15-18)27(36)30-13-14-31(28(37)40-22-11-3-2-4-12-22)26(30)25(35)29-23(17-24(33)34)19-8-6-10-21(16-19)32(38)39/h2-12,15-16,23,26H,13-14,17H2,1H3,(H,29,35)(H,33,34)