3-(4-fluorophenyl)-3-[(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-3-[(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[oxo-(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonyl-2-imidazolidinyl)methyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[[1-carbobenzoxy-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C25H24FN3O7S2 MolecularWeight: 561.602363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)OCC2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)OCC2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H24FN3O7S2/c26-19-10-8-18(9-11-19)20(15-21(30)31)27-23(32)24-28(25(33)36-16-17-5-2-1-3-6-17)12-13-29(24)38(34,35)22-7-4-14-37-22/h1-11,14,20,24H,12-13,15-16H2,(H,27,32)(H,30,31)