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

Systemtic Name: 4-phenoxy-1-[2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-phenoxy-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-2-[4-[[oxo-(2-sulfophenyl)methyl]amino]-1-imidazolyl]hexyl]-4-phenoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 4-phenoxy-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-phenoxy-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]hexanoyl]proline Formula: C27H30N4O8S MolecularWeight: 570.6141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(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

CCCCC(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/C27H30N4O8S/c1-2-3-12-21(26(33)31-15-19(14-22(31)27(34)35)39-18-9-5-4-6-10-18)30-16-24(28-17-30)29-25(32)20-11-7-8-13-23(20)40(36,37)38/h4-11,13,16-17,19,21-22H,2-3,12,14-15H2,1H3,(H,29,32)(H,34,35)(H,36,37,38)