3-[[1-(4-methylphenyl)carbonyl-3-pyridin-3-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(4-methylphenyl)carbonyl-3-pyridin-3-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-methylphenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-nicotinoyl-3-p-toluoyl-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=C(C=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=C(C=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/c1-17-7-9-18(10-8-17)26(36)30-12-13-31(27(37)20-5-3-11-28-16-20)25(30)24(35)29-22(15-23(33)34)19-4-2-6-21(14-19)32(38)39/h2-11,14,16,22,25H,12-13,15H2,1H3,(H,29,35)(H,33,34)