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

Systemtic Name: 3-[[1-cyclopropylcarbonyl-3-(4-fluorophenyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclopropyl(oxo)methyl]-3-(4-fluorophenyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)sulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C23H23FN4O8S MolecularWeight: 534.514123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O8S/c24-16-6-8-18(9-7-16)37(35,36)27-11-10-26(23(32)14-4-5-14)22(27)21(31)25-19(13-20(29)30)15-2-1-3-17(12-15)28(33)34/h1-3,6-9,12,14,19,22H,4-5,10-11,13H2,(H,25,31)(H,29,30)