Molecule ID: 26818

IUPAC Name: 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

Description: The molecule is a member of the class of bilanes that is a colourless product formed in the intestine by the reduction of bilirubin. It has a role as a human metabolite.

SMILES: CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4N=C(O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)N=C1O

SELFIES: [C][C][C][=C][Branch1][C][C][C][Branch2][Branch1][O][C][C][NH1][C][Branch2][Ring2][Branch1][C][C][NH1][C][Branch1][P][C][C][N][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch1][C][C][C][=Ring1][S][C][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][S][C][N][=C][Ring2][Ring2][Branch2][O]

InChI: InChI=1S/C33H44N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)

Molecular Properties:
- Polar Surface Area: 164.0 Ų
- LogP: 2.7