sapphyrin PCI-2050 (CHEBI:50289)

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CHEBI:50289 - sapphyrin PCI-2050

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ChEBI ID	CHEBI:50289
ChEBI Name	sapphyrin PCI-2050
Stars
Last Modified	17 July 2008
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C72H111N7O16
Net Charge	0
Average Mass	1330.713
Monoisotopic Mass	1329.80873
SMILES	CCc1c(C)c2nc1cc1nc(cc3nc(cc4nc(cc5nc2c(C)c5CC)C(C)=C4CCCOC(=O)N(CCOCCOCCOC)CCOCCOCCOC)c(CC)c3CC)C(CCCOC(=O)N(CCOCCOCCOC)CCOCCOCCOC)=C1C
InChI	InChI=1S/C72H111N7O16/c1-13-55-53(7)69-70-54(8)56(14-2)64(77-70)48-62-52(6)60(20-18-26-95-72(81)79(23-29-88-41-45-92-37-33-84-11)24-30-89-42-46-93-38-34-85-12)68(74-62)50-66-58(16-4)57(15-3)65(75-66)49-67-59(51(5)61(73-67)47-63(55)76-69)19-17-25-94-71(80)78(21-27-86-39-43-90-35-31-82-9)22-28-87-40-44-91-36-32-83-10/h47-50,75-77H,13-46H2,1-12H3/b61-47-,62-48-,63-47-,64-48-,65-49-,66-50-,67-49-,68-50-,70-69-
InChIKey	NQHACGPFRLPMPV-NBYSHALXSA-N

ChEBI Ontology

Outgoing Relation(s)
	sapphyrin PCI-2050 (CHEBI:50289) is a substituted sapphyrin (CHEBI:50287)

IUPAC Name
[(6Z,11Z,15Z,20Z)-4,13,14,23-tetraethyl-3,8,19,24-tetramethyl-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)