Chem
J-GLOBAL ID：200907057600367449   Nikkaji number：J1.088.456J

[10-[3-(Methylcarbamoylmethoxy)phenyl]-21H,23H-porphyrin-5,15,20-triyl]tris(3,1-phenyleneoxy)trisacetic acid

[10-[3-(メチルカルバモイルメトキシ)フェニル]-21H,23H-ポルフィリン-5,15,20-トリイル]トリス(3,1-フェニレンオキシ)トリス酢酸
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： C53H41N5O11
Molecular formula furigana： C53-H41-N5-O11
Molecular weight： 923.935
InChI： InChI=1S/C53H41N5O11/c1-54-46(59)26-66-34-10-2-6-30(22-34)50-38-14-16-40(55-38)51(31-7-3-11-35(23-31)67-27-47(60)61)42-18-20-44(57-42)53(33-9-5-13-37(25-33)69-29-49(64)65)45-21-19-43(58-45)52(41-17-15-39(50)56-41)32-8-4-12-36(24-32)68-28-48(62)63/h2-25,55,58H,26-29H2,1H3,(H,54,59)(H,60,61)(H,62,63)(H,64,65)/b50-38-,50-39-,51-40-,51-42-,52-41-,52-43-,53-44-,53-45-
InChI key： MYIJSPORWKXVJB-FFASWLLMSA-N
SMILES： CNC(=O)COc1cccc(c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cccc(OCC(=O)O)c1)[nH]4)/c1cccc(OCC(=O)O)c1)/C=C3)\c1cccc(OCC(=O)O)c1)/[nH]2
Systematic name  (3)：
  • [10-[3-(メチルカルバモイルメトキシ)フェニル]-21H,23H-ポルフィリン-5,15,20-トリイル]トリス(3,1-フェニレンオキシ)トリス酢酸
  • 2-(3-{7,12-ビス[3-(カルボキシメトキシ)フェニル]-17-{3-[(メチルカルバモイル)メトキシ]フェニル}-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル}フェノキシ)酢酸
  • 2-(3-{7,12-bis[3-(carboxymethoxy)phenyl]-17-{3-[(methylcarbamoyl)methoxy]phenyl}-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl}phenoxy)acetic acid
Other name (1)：
  • [10-[3-(Methylcarbamoylmethoxy)phenyl]-21H,23H-porphyrin-5,15,20-triyl]tris(3,1-phenyleneoxy)trisacetic acid
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