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

Systemtic Name: 3-[[1-[(3-methylphenyl)carbamoyl]-3-pyridin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(m-tolylcarbamoyl)-3-(pyridine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methylanilino)-oxomethyl]-3-[oxo(pyridin-4-yl)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(3-methylphenyl)carbamoyl]-3-(pyridine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-isonicotinoyl-3-(m-tolylcarbamoyl)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=CC=NC=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=CC=NC=C4

InChI

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