Chem
J-GLOBAL ID：200907029142913508   Nikkaji number：J2.117.868C

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

2-[1-[1-[13,17-ビス(2-カルボキシエチル)-2,3,7,12,18-ペンタメチル-21H,23H-ポルフィリン-8-イル]エトキシ]エチル]-3,7,8,12,18-ペンタメチル-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/c1-29-31(3)47-23-53-37(9)65(59(73-53)25-51-35(7)43(15-19-63(79)80)57(71-51)27-55-41(13-17-61(75)76)33(5)49(69-55)21-45(29)67-47)39(11)83-40(12)66-38(10)54-24-48-32(4)30(2)46(68-48)22-50-34(6)42(14-18-62(77)78)56(70-50)28-58-44(16-20-64(81)82)36(8)52(72-58)26-60(66)74-54/h21-28,39-40,67,70-71,74H,13-20H2,1-12H3,(H,75,76)(H,77,78)(H,79,80)(H,81,82)/b45-21-,46-22-,47-23-,48-24-,49-21-,50-22-,51-25-,52-26-,53-23-,54-24-,55-27-,56-28-,57-27-,58-28-,59-25-,60-26-
InChI key： TYIGQHPARCEYBR-YMQLPBOTSA-N
SMILES： CC(OC(C)c1c(C)c2/C=C/3\N=C(/C=c/4\[nH]/c(=C\C5=N/C(=C\c1[nH]2)/C(=C5CCC(=O)O)C)/c(CCC(=O)O)c4C)C(=C3C)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(=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)-2,3,7,12,18-ペンタメチル-21H,23H-ポルフィリン-8-イル]エトキシ]エチル]-3,7,8,12,18-ペンタメチル-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)-5,9,10,14,20-ペンタメチル-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)-5,9,10,14,19-ペンタメチル-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)-5,9,10,14,20-pentamethyl-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)-5,9,10,14,19-pentamethyl-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)-2,3,7,12,18-pentamethyl-21H,23H-porphyrin-8-yl]ethoxy]ethyl]-3,7,8,12,18-pentamethyl-21H,23H-porphyrin-13,17-dipropanoic acid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM