4-phenoxy-1-[8,8,8-tris(fluoranyl)-2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-phenoxy-1-[8,8,8-tris(fluoranyl)-2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-phenoxy-1-[8,8,8-trifluoro-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-phenoxy-1-[8,8,8-trifluoro-1-oxo-2-[4-[[oxo-(2-sulfophenyl)methyl]amino]-1-imidazolyl]octyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-phenoxy-1-[8,8,8-trifluoro-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-phenoxy-1-[8,8,8-trifluoro-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]proline Formula: C29H31F3N4O8S MolecularWeight: 652.63865

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)C(CCCCCC(F)(F)F)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)OC4=CC=CC=C4

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)C(CCCCCC(F)(F)F)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C29H31F3N4O8S/c30-29(31,32)14-8-2-5-12-22(27(38)36-16-20(15-23(36)28(39)40)44-19-9-3-1-4-10-19)35-17-25(33-18-35)34-26(37)21-11-6-7-13-24(21)45(41,42)43/h1,3-4,6-7,9-11,13,17-18,20,22-23H,2,5,8,12,14-16H2,(H,34,37)(H,39,40)(H,41,42,43)