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

Systemtic Name: 3-[[1-[(3-methylphenyl)carbamoyl]-3-pyridin-3-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(m-tolylcarbamoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methylanilino)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(3-methylphenyl)carbamoyl]-3-(pyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(m-tolylcarbamoyl)-3-nicotinoyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C27H26N6O7 MolecularWeight: 546.53134

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26N6O7/c1-17-5-2-8-20(13-17)29-27(38)32-12-11-31(26(37)19-7-4-10-28-16-19)25(32)24(36)30-22(15-23(34)35)18-6-3-9-21(14-18)33(39)40/h2-10,13-14,16,22,25H,11-12,15H2,1H3,(H,29,38)(H,30,36)(H,34,35)