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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)F

InChI

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