Chem
J-GLOBAL ID：200907087893415422   Nikkaji number：J2.145.487G

5-[4-[[3-[1,3,5,7-Tetraoxo-6-(6-oxo-6-methoxyhexyl)-2,6-dihydrobenzo[1,2-c:4,5-c′]dipyrrole-2-yl]propyl]carbamoyl]phenyl]-10-heptyl-15,20-bis(1-methyl-2-imidazolyl)-21H,23H-porphyrin

5-[4-[[3-[1,3,5,7-テトラオキソ-6-(6-オキソ-6-メトキシヘキシル)-2,6-ジヒドロベンゾ[1,2-c:4,5-c′]ジピロール-2-イル]プロピル]カルバモイル]フェニル]-10-ヘプチル-15,20-ビス(1-メチル-2-イミダゾリル)-21H,23H-ポルフィリン
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： C62H61N11O7
Molecular formula furigana： C62-H61-N11-O7
Molecular weight： 1072.240
InChI： InChI=1S/C62H61N11O7/c1-5-6-7-8-10-14-39-44-20-22-46(66-44)53(47-24-25-49(68-47)55(57-64-30-34-71(57)3)51-27-26-50(69-51)54(48-23-21-45(39)67-48)56-63-29-33-70(56)2)37-16-18-38(19-17-37)58(75)65-28-13-32-73-61(78)42-35-40-41(36-43(42)62(73)79)60(77)72(59(40)76)31-12-9-11-15-52(74)80-4/h16-27,29-30,33-36,67-68H,5-15,28,31-32H2,1-4H3,(H,65,75)/b44-39-,45-39-,53-46-,53-47-,54-48+,54-50+,55-49+,55-51+
InChI key： RTXOVXGVKMVUTB-PXVVVDDOSA-N
SMILES： CCCCCCC/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)C(=O)NCCCn1c(=O)c5cc6c(cc5c1=O)c(=O)n(CCCCCC(=O)OC)c6=O)[nH]4)/c1nccn1C)/C=C3)\c1nccn1C)/[nH]2
Systematic name  (3)：
  • 5-[4-[[3-[1,3,5,7-テトラオキソ-6-(6-オキソ-6-メトキシヘキシル)-2,6-ジヒドロベンゾ[1,2-c:4,5-c′]ジピロール-2-イル]プロピル]カルバモイル]フェニル]-10-ヘプチル-15,20-ビス(1-メチル-2-イミダゾリル)-21H,23H-ポルフィリン
  • メチル 6-{6-[3-({4-[17-ヘプチル-7,12-ビス(1-メチル-1H-イミダゾール-2-イル)-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]フェニル}ホルムアミド)プロピル]-1,3,5,7-テトラオキソ-1H,2H,3H,5H,6H,7H-ピロロ[3,4-f]イソインドール-2-イル}ヘキサノアート
  • methyl 6-{6-[3-({4-[17-heptyl-7,12-bis(1-methyl-1H-imidazol-2-yl)-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]phenyl}formamido)propyl]-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}hexanoate
Other name (1)：
  • 5-[4-[[3-[1,3,5,7-Tetraoxo-6-(6-oxo-6-methoxyhexyl)-2,6-dihydrobenzo[1,2-c:4,5-c′]dipyrrole-2-yl]propyl]carbamoyl]phenyl]-10-heptyl-15,20-bis(1-methyl-2-imidazolyl)-21H,23H-porphyrin
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