Chem
J-GLOBAL ID：201407006678026962   Nikkaji number：J3.314.377J

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

3-[(2,2′-ビピリジン-3-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)34-21-38-29(14-13-27-11-10-18-46-42(27)32-12-8-9-17-45-32)24(3)33(48-38)20-35-25(4)30(15-16-40(52)53-6)43(49-35)31-19-39(51)41-26(5)36(50-44(31)41)22-37(28)47-34/h8-12,17-18,20-22,25,30,48,50H,7,15-16,19H2,1-6H3/b33-20+,34-21-,35-20-,36-22-,37-22-,38-21+,43-31-/t25-,30-/m0/s1
InChI key： NANPOSBKAMFRDN-GHDXTYPXSA-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#Cc2cccnc2c2ccccn2)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C
Systematic name  (3)：
  • 3-[(2,2′-ビピリジン-3-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]-3-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]-3-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-3-yl)ethynyl]-3-deethylphytochlorin methyl ester
Thsaurus map：
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