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

Systemtic Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-pyridin-3-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-(pyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-methoxyanilino)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-(pyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-nicotinoyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C27H26N6O8 MolecularWeight: 562.53074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=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

COC1=CC=C(C=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/C27H26N6O8/c1-41-21-9-7-19(8-10-21)29-27(38)32-13-12-31(26(37)18-5-3-11-28-16-18)25(32)24(36)30-22(15-23(34)35)17-4-2-6-20(14-17)33(39)40/h2-11,14,16,22,25H,12-13,15H2,1H3,(H,29,38)(H,30,36)(H,34,35)