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

Systemtic Name: 4-phenoxy-1-[2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-phenoxy-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-2-[4-[[oxo-(2-sulfophenyl)methyl]amino]-1-imidazolyl]octyl]-4-phenoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 4-phenoxy-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-phenoxy-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]proline Formula: C29H34N4O8S MolecularWeight: 598.66726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(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

CCCCCCC(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/C29H34N4O8S/c1-2-3-4-8-14-23(28(35)33-17-21(16-24(33)29(36)37)41-20-11-6-5-7-12-20)32-18-26(30-19-32)31-27(34)22-13-9-10-15-25(22)42(38,39)40/h5-7,9-13,15,18-19,21,23-24H,2-4,8,14,16-17H2,1H3,(H,31,34)(H,36,37)(H,38,39,40)