Chem
J-GLOBAL ID：200907070551905681   Nikkaji number：J1.271.774A

2-[2-[[2-[3-(4′-Methyl-2,2′-bipyridine-4-yl)propoxy]ethyl]carbamoyl]ethyl]-3,7,12,17-tetramethyl-8,13-diethenyl-21H,23H-porphyrin-18-propionic acid

2-[2-[[2-[3-(4′-メチル-2,2′-ビピリジン-4-イル)プロポキシ]エチル]カルバモイル]エチル]-3,7,12,17-テトラメチル-8,13-ジエテニル-21H,23H-ポルフィリン-18-プロピオン酸
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： C50H53N7O4
Molecular formula furigana： C50-H53-N7-O4
Molecular weight： 816.019
InChI： InChI=1S/C50H53N7O4/c1-8-35-30(4)39-25-40-32(6)37(12-14-49(58)53-20-22-61-21-10-11-34-17-19-52-48(24-34)47-23-29(3)16-18-51-47)45(56-40)28-46-38(13-15-50(59)60)33(7)42(57-46)27-44-36(9-2)31(5)41(55-44)26-43(35)54-39/h8-9,16-19,23-28,55-56H,1-2,10-15,20-22H2,3-7H3,(H,53,58)(H,59,60)/b39-25-,40-25-,41-26-,42-27-,43-26-,44-27-,45-28-,46-28-
InChI key： CAMREKWCGIBTRV-ACCYKMTPSA-N
SMILES： CC1=C(CCC(=O)O)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)CCC(=O)NCCOCCCc2ccnc(c2)c2cc(C)ccn2)C(=C3C=C)C)c(c1C=C)C
Systematic name  (2)：
  • 2-[2-[[2-[3-(4′-メチル-2,2′-ビピリジン-4-イル)プロポキシ]エチル]カルバモイル]エチル]-3,7,12,17-テトラメチル-8,13-ジエテニル-21H,23H-ポルフィリン-18-プロピオン酸
  • 2-[3-オキソ-3-[[2-[3-(4′-メチル-2,2′-ビピリジン-4-イル)プロポキシ]エチル]アミノ]プロピル]-3,7,12,17-テトラメチル-8,13-ジビニル-21H,23H-ポルフィリン-18-プロパン酸
Other name (2)：
  • 2-[2-[[2-[3-(4′-Methyl-2,2′-bipyridine-4-yl)propoxy]ethyl]carbamoyl]ethyl]-3,7,12,17-tetramethyl-8,13-diethenyl-21H,23H-porphyrin-18-propionic acid
  • 2-[3-Oxo-3-[[2-[3-(4′-methyl-2,2′-bipyridine-4-yl)propoxy]ethyl]amino]propyl]-3,7,12,17-tetramethyl-8,13-divinyl-21H,23H-porphyrin-18-propanoic acid
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