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

Systemtic Name: 3-[[1-cyclohexylcarbonyl-3-(4-fluorophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(cyclohexanecarbonyl)-3-(4-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclohexyl(oxo)methyl]-3-[(4-fluorophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclohexanecarbonyl)-3-(4-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(cyclohexanecarbonyl)-3-(4-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=C(C=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=C(C=C4)F

InChI

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