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

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

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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=CC=NC=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=CC=NC=C4

InChI

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