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

Systemtic Name: 3-[[1-(3-methylphenyl)carbonyl-3-pyridin-3-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methylphenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-m-toluoyl-3-nicotinoyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C27H25N5O7 MolecularWeight: 531.5167

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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)C4=CN=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)C4=CN=CC=C4

InChI

InChI=1S/C27H25N5O7/c1-17-5-2-7-19(13-17)26(36)30-11-12-31(27(37)20-8-4-10-28-16-20)25(30)24(35)29-22(15-23(33)34)18-6-3-9-21(14-18)32(38)39/h2-10,13-14,16,22,25H,11-12,15H2,1H3,(H,29,35)(H,33,34)