4-pyridin-3-yloxy-1-[2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-pyridin-3-yloxy-1-[2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-pyridyloxy)-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-(3-pyridinyloxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-pyridin-3-yloxy-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-(3-pyridyloxy)-1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]proline Formula: C28H33N5O8S MolecularWeight: 599.65532

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H33N5O8S/c1-2-3-4-5-11-22(27(35)33-16-20(14-23(33)28(36)37)41-19-9-8-13-29-15-19)32-17-25(30-18-32)31-26(34)21-10-6-7-12-24(21)42(38,39)40/h6-10,12-13,15,17-18,20,22-23H,2-5,11,14,16H2,1H3,(H,31,34)(H,36,37)(H,38,39,40)