sapphyrin PCI-2052 (CHEBI:50290)

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CHEBI:50290 - sapphyrin PCI-2052

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ChEBI ID	CHEBI:50290
ChEBI Name	sapphyrin PCI-2052
Stars
Last Modified	17 July 2008
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C70H107N7O16
Net Charge	0
Average Mass	1302.659
Monoisotopic Mass	1301.77743
SMILES	CCc1c(CC)c2cc3nc(cc4nc(c(C)c4C)c4nc(cc5nc(cc1n2)C(CCCOC(=O)N(CCOCCOCCOC)CCOCCOCCOC)=C5C)c(C)c4C)C(C)=C3CCCOC(=O)N(CCOCCOCCOC)CCOCCOCCOC
InChI	InChI=1S/C70H107N7O16/c1-13-55-56(14-2)64-48-66-58(18-16-24-93-70(79)77(21-27-86-39-43-90-35-31-82-11)22-28-87-40-44-91-36-32-83-12)54(8)62(72-66)46-60-50(4)52(6)68(75-60)67-51(5)49(3)59(74-67)45-61-53(7)57(65(71-61)47-63(55)73-64)17-15-23-92-69(78)76(19-25-84-37-41-88-33-29-80-9)20-26-85-38-42-89-34-30-81-10/h45-48,73-75H,13-44H2,1-12H3/b59-45-,60-46-,61-45-,62-46-,63-47-,64-48-,65-47-,66-48-,68-67-
InChIKey	ZXLRAQSZKDFWSI-QDQPLYFISA-N

ChEBI Ontology

Outgoing Relation(s)
	sapphyrin PCI-2052 (CHEBI:50290) is a substituted sapphyrin (CHEBI:50287)

IUPAC Name
[(6Z,11Z,15Z,20Z)-13,14-diethyl-3,4,8,19,23,24-hexamethyl-25,26,27,28,29-pentaazahexacyclo[20.2.1.1^2,5.1^7,10.1^12,15.1^17,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene-9,18-diyl]dipropane-3,1-diyl bis(bis{2-[2-(2-methoxyethoxy)ethoxy]ethyl}carbamate)