Chem
J-GLOBAL ID：200907063506260797   Nikkaji number：J2.117.870E

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

2-[[13,17-ビス(2-カルボキシエチル)-3-エチル-2,7,12,18-テトラメチル-21H,23H-ポルフィリン-8-イル]メトキシメチル]-7-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： C66H70N8O9
Molecular formula furigana： C66-H70-N8-O9
Molecular weight： 1119.333
InChI： InChI=1S/C66H70N8O9/c1-11-39-31(3)47-21-49-33(5)41(13-17-63(75)76)57(69-49)27-59-43(15-19-65(79)80)35(7)51(71-59)25-61-45(37(9)53(73-61)23-55(39)67-47)29-83-30-46-38(10)54-24-56-40(12-2)32(4)48(68-56)22-50-34(6)42(14-18-64(77)78)58(70-50)28-60-44(16-20-66(81)82)36(8)52(72-60)26-62(46)74-54/h21-28,67,70-71,74H,11-20,29-30H2,1-10H3,(H,75,76)(H,77,78)(H,79,80)(H,81,82)/b47-21-,48-22-,49-21-,50-22-,51-25-,52-26-,53-23-,54-24-,55-23-,56-24-,57-27-,58-28-,59-27-,60-28-,61-25-,62-26-
InChI key： CCEFMFYTSQVMDB-FEKORXLUSA-N
SMILES： CCC1=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)COCC1=C(C)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)CC)C(=C3CCC(=O)O)C)c(c1C)CCC(=O)O
Systematic name  (3)：
  • 2-[[13,17-ビス(2-カルボキシエチル)-3-エチル-2,7,12,18-テトラメチル-21H,23H-ポルフィリン-8-イル]メトキシメチル]-7-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-({[15,19-ビス(2-カルボキシエチル)-9-エチル-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]メトキシ}メチル)-20-(2-カルボキシエチル)-10-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-({[15,19-bis(2-carboxyethyl)-9-ethyl-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]methoxy}methyl)-20-(2-carboxyethyl)-10-ethyl-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-[[13,17-Bis(2-carboxyethyl)-3-ethyl-2,7,12,18-tetramethyl-21H,23H-porphyrin-8-yl]methoxymethyl]-7-ethyl-3,8,12,18-tetramethyl-21H,23H-porphyrin-13,17-dipropanoic acid
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