3-[[1-cyclohexylcarbonyl-3-(3-methoxyphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-cyclohexylcarbonyl-3-(3-methoxyphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(cyclohexanecarbonyl)-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclohexyl(oxo)methyl]-3-[(3-methoxyphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclohexanecarbonyl)-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(cyclohexanecarbonyl)-3-m-anisoyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C28H32N4O8 MolecularWeight: 552.57568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCCCC4

InChI

InChI=1S/C28H32N4O8/c1-40-22-12-6-10-20(16-22)28(37)31-14-13-30(27(36)18-7-3-2-4-8-18)26(31)25(35)29-23(17-24(33)34)19-9-5-11-21(15-19)32(38)39/h5-6,9-12,15-16,18,23,26H,2-4,7-8,13-14,17H2,1H3,(H,29,35)(H,33,34)