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

Systemtic Name: 1-[2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 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]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]proline Formula: C23H30N4O7S MolecularWeight: 506.5719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CCCC1C(=O)O)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)N1CCCC1C(=O)O)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C23H30N4O7S/c1-2-3-4-5-10-17(22(29)27-13-8-11-18(27)23(30)31)26-14-20(24-15-26)25-21(28)16-9-6-7-12-19(16)35(32,33)34/h6-7,9,12,14-15,17-18H,2-5,8,10-11,13H2,1H3,(H,25,28)(H,30,31)(H,32,33,34)