Molecule ID: 135398685

IUPAC Name: [4-[[8-benzyl-3-hydroxy-6-(4-sulfooxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]phenyl] hydrogen sulfate

Description: The molecule is an aryl sulfate and an imidazopyrazine. It has a role as a luciferin. It derives from an Oplophorus luciferin. It is a conjugate acid of a Watasenia luciferin(2-). It derives from a hydride of an imidazo[1,2-a]pyrazine.

SMILES: O=S(=O)(O)Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(OS(=O)(=O)O)cc4)cn3c2O)cc1

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][C][N][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][=C][N][Ring2][Ring1][Branch2][C][=Ring2][Ring1][O][O][C][=C][Ring2][Ring2][Ring1]

InChI: InChI=1S/C26H21N3O9S2/c30-26-23(15-18-6-10-20(11-7-18)37-39(31,32)33)28-25-22(14-17-4-2-1-3-5-17)27-24(16-29(25)26)19-8-12-21(13-9-19)38-40(34,35)36/h1-13,16,30H,14-15H2,(H,31,32,33)(H,34,35,36)

Molecular Properties:
- Polar Surface Area: 194.0 Ų
- LogP: 4.3