3-cyclohexyl-3-[[1-(4-fluorophenyl)carbonyl-3-(3-nitrophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)carbonyl-3-(3-nitrophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(4-fluorobenzoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(4-fluorophenyl)-oxomethyl]-3-[(3-nitrophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(4-fluorobenzoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(4-fluorobenzoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C27H29FN4O7 MolecularWeight: 540.540163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H29FN4O7/c28-20-11-9-18(10-12-20)26(36)30-13-14-31(27(37)19-7-4-8-21(15-19)32(38)39)25(30)24(35)29-22(16-23(33)34)17-5-2-1-3-6-17/h4,7-12,15,17,22,25H,1-3,5-6,13-14,16H2,(H,29,35)(H,33,34)