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

Systemtic Name: 3-[[1-[(3-methylphenyl)carbamoyl]-3-phenoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(m-tolylcarbamoyl)-3-phenoxycarbonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methylanilino)-oxomethyl]-3-[oxo(phenoxy)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(3-methylphenyl)carbamoyl]-3-phenoxycarbonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-carbophenoxy-3-(m-tolylcarbamoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C28H27N5O8 MolecularWeight: 561.54268

Click to see the large picture

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

InChI

InChI=1S/C28H27N5O8/c1-18-7-5-9-20(15-18)29-27(37)31-13-14-32(28(38)41-22-11-3-2-4-12-22)26(31)25(36)30-23(17-24(34)35)19-8-6-10-21(16-19)33(39)40/h2-12,15-16,23,26H,13-14,17H2,1H3,(H,29,37)(H,30,36)(H,34,35)