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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29FN4O7/c28-20-8-4-7-19(15-20)27(37)31-14-13-30(26(36)18-9-11-21(12-10-18)32(38)39)25(31)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)