rac-Phycocyanobilin

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

Also Known As: rac-Phycocyanobilin|Extracted from algae|3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

Molecular Formula	C33H38N4O6
Molecular Weight	586.2791 g/mol
LogP	3.36414
Topological Polar Surface Area	164.71 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	586.2791
Monoisotopic Mass	586.2791
Heavy Atoms	43
Complexity	1776.8376

Chemical Identifiers

CAS Number	215871-76-4
SMILES	CCC1=C(C(=NC1=O)/C=C\2/C(=C(/C(=C/C3=C(C(=C(N3)/C=C\4/C(=C/C)/C(C(=O)N4)C)C)CCC(=O)O)/N2)CCC(=O)O)C)C