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

Systemtic Name: 3-[[1-(3-fluorophenyl)carbonyl-3-thiophen-2-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(3-fluorobenzoyl)-3-(thiophene-2-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-fluorophenyl)-oxomethyl]-3-[oxo(thiophen-2-yl)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-fluorobenzoyl)-3-(thiophene-2-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(3-fluorobenzoyl)-3-(2-thenoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C25H21FN4O7S MolecularWeight: 540.520243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC(=CC=C2)F)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC(=CC=C2)F)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C25H21FN4O7S/c26-17-6-1-5-16(12-17)24(34)28-9-10-29(25(35)20-8-3-11-38-20)23(28)22(33)27-19(14-21(31)32)15-4-2-7-18(13-15)30(36)37/h1-8,11-13,19,23H,9-10,14H2,(H,27,33)(H,31,32)