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AG00C2LE

Name: Phycocyanobilin
Brand: Angene Chemical
SKU: AG00C2LE

20298-86-6 | Phycocyanobilin

Chemical structure of Phycocyanobilin, CAS 20298-86-6

AG00C2LE

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CAS Number	20298-86-6
Catalog Number	AG00C2LE(AGN-PC-0QTDOB)
Chemical Name	Phycocyanobilin
IUPAC Name	3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3E,4R)-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
InChI	InChI=1S/C33H38N4O6/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/h7,13-15,19,34-35H,8-12H2,1-6H3,(H,37,42)(H,38,39)(H,40,41)/b20-7+,24-13+,27-14-,28-15-/t19-/m1/s1
InChI Key	NNMALANKTSRILL-LXENMSTPSA-N
MDL Number	MFCD22684686
Molecular Formula	C33H38N4O6
Molecular Weight	586.6780
SMILES	C(=O)(O)CCC1=C(NC(=C1C)C=C1/NC([C@@H](/C1=CC)C)=O)C=C1/N=C(C(=C1CCC(=O)O)C)C=C1/NC(C(=C1C)CC)=O
Synonyms	21H-biline-8,12-dipropanoic acid, 18-ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3E)-, 3(E)-phycocyanobilin, 3Z-phycocyanobilin, biline-8,12-dipropionic acid, 18-ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, phycocyanobilin, phycocyanobilin, Phycobilin, 20298-86-6, AC1O5PIT, UNII-36NUT04V2K component INPDFIMLLXXDOQ-UAWLBFNISA-N, 21H-Biline-8,12-dipropanoic acid, 18-ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3E)-, 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3E,4R)-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, Extracted from algae, UNII-36NUT04V2K, 36NUT04V2K, C33H38N4O6, C33-H38-N4-O6, CID6438349,

Complexity	1460
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	4
Exact Mass	586.279g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	586.689g/mol
Monoisotopic Mass	586.279g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	161A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited