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

Systemtic Name: 3-[[1-(4-fluorophenyl)carbonyl-3-propylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-fluorobenzoyl)-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-fluorophenyl)-oxomethyl]-3-propylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-fluorobenzoyl)-3-propylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(4-fluorobenzoyl)-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C23H25FN4O8S MolecularWeight: 536.530003

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN4O8S/c1-2-12-37(35,36)27-11-10-26(23(32)15-6-8-17(24)9-7-15)22(27)21(31)25-19(14-20(29)30)16-4-3-5-18(13-16)28(33)34/h3-9,13,19,22H,2,10-12,14H2,1H3,(H,25,31)(H,29,30)