Chem
J-GLOBAL ID：200907073267244453   Nikkaji number：J2.108.449B

132,172-Bis[3,5-bis(4-carboxybenzyloxy)benzylcarbamoyl]-132,172-didecarboxyprotoporphyrin

132,172-ビス[3,5-ビス(4-カルボキシベンジルオキシ)ベンジルカルバモイル]-132,172-ジデカルボキシプロトポルフィリン
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： C80H72N6O14
Molecular formula furigana： C80-H72-N6-O14
Molecular weight： 1341.484
InChI： InChI=1S/C80H72N6O14/c1-7-63-45(3)67-35-68-47(5)65(25-27-75(87)81-39-53-29-59(97-41-49-9-17-55(18-10-49)77(89)90)33-60(30-53)98-42-50-11-19-56(20-12-50)78(91)92)73(85-68)38-74-66(48(6)70(86-74)37-72-64(8-2)46(4)69(84-72)36-71(63)83-67)26-28-76(88)82-40-54-31-61(99-43-51-13-21-57(22-14-51)79(93)94)34-62(32-54)100-44-52-15-23-58(24-16-52)80(95)96/h7-24,29-38,83,86H,1-2,25-28,39-44H2,3-6H3,(H,81,87)(H,82,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)/b67-35-,68-35-,69-36-,70-37-,71-36-,72-37-,73-38-,74-38-
InChI key： ZTYDJEZOCFDWHM-SSFSEXHNSA-N
SMILES： CC1=C(CCC(=O)NCc2cc(OCc3ccc(cc3)C(=O)O)cc(OCc3ccc(cc3)C(=O)O)c2)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)CCC(=O)NCc2cc(OCc4ccc(cc4)C(=O)O)cc(OCc4ccc(cc4)C(=O)O)c2)C(=C3C)C=C)c(c1C)C=C
Systematic name  (2)：
  • N,N′-ビス[3,5-ビス(4-カルボキシベンジルオキシ)ベンジル]-3,8-ジエテニル-2,7,12,18-テトラメチル-21H,23H-ポルフィリン-13,17-ジ(プロパンアミド)
  • 132,172-ビス[3,5-ビス(4-カルボキシベンジルオキシ)ベンジルカルバモイル]-132,172-ジデカルボキシプロトポルフィリン
Other name (2)：
  • N,N′-Bis[3,5-bis(4-carboxybenzyloxy)benzyl]-3,8-diethenyl-2,7,12,18-tetramethyl-21H,23H-porphyrin-13,17-di(propanamide)
  • 132,172-Bis[3,5-bis(4-carboxybenzyloxy)benzylcarbamoyl]-132,172-didecarboxyprotoporphyrin
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