4-phenoxy-1-[2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]heptanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-phenoxy-1-[2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]heptanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-phenoxy-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]heptanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-2-[4-[[oxo-(2-sulfophenyl)methyl]amino]-1-imidazolyl]heptyl]-4-phenoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 4-phenoxy-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]heptanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-phenoxy-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]heptanoyl]proline Formula: C28H32N4O8S MolecularWeight: 584.64068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)N1CC(CC1C(=O)O)OC2=CC=CC=C2)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O

Isomeric SMILES

CCCCCC(C(=O)N1CC(CC1C(=O)O)OC2=CC=CC=C2)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O

InChI

InChI=1S/C28H32N4O8S/c1-2-3-5-13-22(27(34)32-16-20(15-23(32)28(35)36)40-19-10-6-4-7-11-19)31-17-25(29-18-31)30-26(33)21-12-8-9-14-24(21)41(37,38)39/h4,6-12,14,17-18,20,22-23H,2-3,5,13,15-16H2,1H3,(H,30,33)(H,35,36)(H,37,38,39)