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

Systemtic Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-phenoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-phenoxycarbonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-methoxyanilino)-oxomethyl]-3-[oxo(phenoxy)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-phenoxycarbonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-carbophenoxy-3-[(4-methoxyphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C28H27N5O9 MolecularWeight: 577.54208

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)OC4=CC=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)OC4=CC=CC=C4

InChI

InChI=1S/C28H27N5O9/c1-41-21-12-10-19(11-13-21)29-27(37)31-14-15-32(28(38)42-22-8-3-2-4-9-22)26(31)25(36)30-23(17-24(34)35)18-6-5-7-20(16-18)33(39)40/h2-13,16,23,26H,14-15,17H2,1H3,(H,29,37)(H,30,36)(H,34,35)