Chem
J-GLOBAL ID：200907019792222695   Nikkaji number：J2.117.872A

2-[1-[1-[13,17-Bis(2-carboxyethyl)-3-ethyl-2,7,12,18-tetramethyl-21H,23H-porphyrin-8-yl]ethylamino]ethyl]-7-ethyl-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-エチル-2,7,12,18-テトラメチル-21H,23H-ポルフィリン-8-イル]エチルアミノ]エチル]-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： C68H75N9O8
Molecular formula furigana： C68-H75-N9-O8
Molecular weight： 1146.403
InChI： InChI=1S/C68H75N9O8/c1-13-41-31(3)47-23-49-33(5)43(15-19-63(78)79)57(72-49)29-59-45(17-21-65(82)83)35(7)51(74-59)27-61-67(37(9)53(76-61)25-55(41)70-47)39(11)69-40(12)68-38(10)54-26-56-42(14-2)32(4)48(71-56)24-50-34(6)44(16-20-64(80)81)58(73-50)30-60-46(18-22-66(84)85)36(8)52(75-60)28-62(68)77-54/h23-30,39-40,69-70,73-74,77H,13-22H2,1-12H3,(H,78,79)(H,80,81)(H,82,83)(H,84,85)/b47-23-,48-24-,49-23-,50-24-,51-27-,52-28-,53-25-,54-26-,55-25-,56-26-,57-29-,58-30-,59-29-,60-30-,61-27-,62-28-
InChI key： NHFRMOSBAJNAOG-YXVLKNDFSA-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)C(C)NC(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)CC)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-エチル-2,7,12,18-テトラメチル-21H,23H-ポルフィリン-8-イル]エチルアミノ]エチル]-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-[1-({1-[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]エチル}アミノ)エチル]-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-[1-({1-[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]ethyl}amino)ethyl]-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-[1-[1-[13,17-Bis(2-carboxyethyl)-3-ethyl-2,7,12,18-tetramethyl-21H,23H-porphyrin-8-yl]ethylamino]ethyl]-7-ethyl-3,8,12,18-tetramethyl-21H,23H-porphyrin-13,17-dipropanoic acid
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