Taurobilirubin

2-[3-[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid

Also Known As: Taurobilirubin|2-[3-[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid|Ethanesulfonic acid, 2,2'-((2,17-diethenyl-1,10,11,19,22,23-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-diyl)bis((1-oxo-3,1-propanediyl)imino))bis-|Ethanesulfonic acid, 2,2'-[(2,17-diethenyl-1,10, 11,19,22,23-hexahydro-3,7,13,18-tetramethyl-1,19 -dioxo-21H-biline-8,12-diyl)bis[(1-oxo-3,1-propanediy l)imino]]bis-

Molecular Formula	C37H46N6O10S2
Molecular Weight	798.27167 g/mol
LogP	2.21552
Topological Polar Surface Area	253.29 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	9
Rotatable Bonds	18
Exact Mass	798.27167
Monoisotopic Mass	798.27167
Heavy Atoms	55
Complexity	2253.1494

Chemical Identifiers

CAS Number	39084-19-0
SMILES	CC1=C(C(N=C1/C=C/2\C(=C(C(=O)N2)C)C=C)CC3=C(C(=C(N3)/C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O