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

Systemtic Name: (2S,4S)-4-(4-fluoranylphenoxy)-1-[(2R)-2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-(4-fluorophenoxy)-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-(4-fluorophenoxy)-1-[(2R)-1-oxo-2-[4-[[oxo-(2-sulfophenyl)methyl]amino]-1-imidazolyl]octyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-(4-fluorophenoxy)-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-(4-fluorophenoxy)-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]proline Formula: C29H33FN4O8S MolecularWeight: 616.657723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC=C(C=C2)F)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O

InChI

InChI=1S/C29H33FN4O8S/c1-2-3-4-5-9-23(28(36)34-16-21(15-24(34)29(37)38)42-20-13-11-19(30)12-14-20)33-17-26(31-18-33)32-27(35)22-8-6-7-10-25(22)43(39,40)41/h6-8,10-14,17-18,21,23-24H,2-5,9,15-16H2,1H3,(H,32,35)(H,37,38)(H,39,40,41)/t21-,23+,24-/m0/s1