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

Systemtic Name: 3-cyclohexyl-3-[[1-(3-methoxyphenyl)carbonyl-3-(3-nitrophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3-methoxybenzoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-methoxyphenyl)-oxomethyl]-3-[(3-nitrophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3-methoxybenzoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-m-anisoyl-3-(3-nitrobenzoyl)imidazolidine-2-carbonyl]amino]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)C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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