Chem
J-GLOBAL ID：201407046275402699   Nikkaji number：J3.314.381H

3-[(2,2′-Bipyridine-6-yl)ethynyl]-3-deethylphytochlorin methyl ester

3-[(2,2′-ビピリジン-6-イル)エチニル]-3-デエチルフィトクロリンメチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C44H40N6O3
Molecular formula furigana： C44-H40-N6-O3
Molecular weight： 700.843
InChI： InChI=1S/C44H40N6O3/c1-7-28-23(2)35-21-39-29(15-14-27-11-10-13-33(46-27)32-12-8-9-18-45-32)24(3)34(48-39)20-36-25(4)30(16-17-41(52)53-6)43(49-36)31-19-40(51)42-26(5)37(50-44(31)42)22-38(28)47-35/h8-13,18,20-22,25,30,48,50H,7,16-17,19H2,1-6H3/b34-20+,35-21-,36-20-,37-22-,38-22-,39-21+,43-31-/t25-,30-/m0/s1
InChI key： NTIXFEBMNVMGEY-URHAUBRASA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1c(c3C(=O)C/C(=C\4/N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C#Cc2cccc(n2)c2ccccn2)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C
Systematic name  (3)：
  • 3-[(2,2′-ビピリジン-6-イル)エチニル]-3-デエチルフィトクロリンメチル
  • メチル 3-[(21S,22S)-16-(2-{[2,2'-ビピリジン]-6-イル}エチニル)-11-エチル-12,17,21,26-テトラメチル-4-オキソ-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1,5,8(26),9,11,13(25),14,16,18,20(23)-デカエン-22-イル]プロパノアート
  • methyl 3-[(21S,22S)-16-(2-{[2,2'-bipyridin]-6-yl}ethynyl)-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoate
Other name (1)：
  • 3-[(2,2′-Bipyridine-6-yl)ethynyl]-3-deethylphytochlorin methyl ester
Thsaurus map：
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