Chem
J-GLOBAL ID：200907069224986718   Nikkaji number：J2.117.869A

2-[1-[1-[13,17-Bis(2-carboxyethyl)-3-ethenyl-2,7,12,18-tetramethyl-21H,23H-porphyrin-8-yl]ethoxy]ethyl]-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-21H,23H-porphyrin-13,17-dipropanoic acid

2-[1-[1-[13,17-ビス(2-カルボキシエチル)-3-エテニル-2,7,12,18-テトラメチル-21H,23H-ポルフィリン-8-イル]エトキシ]エチル]-7-(1-ヒドロキシエチル)-3,8,12,18-テトラメチル-21H,23H-ポルフィリン-13,17-ジプロパン酸
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： C68H72N8O10
Molecular formula furigana： C68-H72-N8-O10
Molecular weight： 1161.370
InChI： InChI=1S/C68H72N8O10/c1-13-41-30(2)46-22-47-31(3)42(14-18-62(78)79)55(70-47)28-57-44(16-20-64(82)83)33(5)49(72-57)25-60-67(36(8)52(75-60)24-54(41)69-46)39(11)86-40(12)68-37(9)53-27-59-66(38(10)77)35(7)51(74-59)23-48-32(4)43(15-19-63(80)81)56(71-48)29-58-45(17-21-65(84)85)34(6)50(73-58)26-61(68)76-53/h13,22-29,38-40,69,71-72,76-77H,1,14-21H2,2-12H3,(H,78,79)(H,80,81)(H,82,83)(H,84,85)/b46-22-,47-22-,48-23-,49-25-,50-26-,51-23-,52-24-,53-27-,54-24-,55-28-,56-29-,57-28-,58-29-,59-27-,60-25-,61-26-
InChI key： PRPQKYOYIUOWFF-RXEKEAFKSA-N
SMILES： CC(O)C1=C(C)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4CCC(=O)O)C)C(=C3C)CCC(=O)O)c(c1C)C(C)OC(C)C1=C(C)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)C=C)C(=C3CCC(=O)O)C)c(c1C)CCC(=O)O
Systematic name  (3)：
  • 2-[1-[1-[13,17-ビス(2-カルボキシエチル)-3-エテニル-2,7,12,18-テトラメチル-21H,23H-ポルフィリン-8-イル]エトキシ]エチル]-7-(1-ヒドロキシエチル)-3,8,12,18-テトラメチル-21H,23H-ポルフィリン-13,17-ジプロパン酸
  • 3-[15-(1-{1-[15,19-ビス(2-カルボキシエチル)-9-エテニル-5,10,14,20-テトラメチル-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(20),2,4,6(24),7,9,11,13(22),14,16,18-ウンデカエン-4-イル]エトキシ}エチル)-20-(2-カルボキシエチル)-10-(1-ヒドロキシエチル)-5,9,14,19-テトラメチル-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(21),2,4,6,8(23),9,11,13,15,17,19-ウンデカエン-4-イル]プロパン酸
  • 3-[15-(1-{1-[15,19-bis(2-carboxyethyl)-9-ethenyl-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]ethoxy}ethyl)-20-(2-carboxyethyl)-10-(1-hydroxyethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid
Other name (1)：
  • 2-[1-[1-[13,17-Bis(2-carboxyethyl)-3-ethenyl-2,7,12,18-tetramethyl-21H,23H-porphyrin-8-yl]ethoxy]ethyl]-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-21H,23H-porphyrin-13,17-dipropanoic acid
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