Chem
J-GLOBAL ID：201007003753096701   Nikkaji number：J2.824.686B

2,7,12,18-Tetramethyl-3,8-bis(1-methyl-2-oxatetradecane-1-yl)-13-(2-mercaptocarbonylethyl)-21H,23H-porphyrin-17-propanoic acid

2,7,12,18-テトラメチル-3,8-ビス(1-メチル-2-オキサテトラデカン-1-イル)-13-(2-メルカプトカルボニルエチル)-21H,23H-ポルフィリン-17-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： C58H86N4O5S
Molecular formula furigana： C58-H86-N4-O5-S
Molecular weight： 951.410
InChI： InChI=1S/C58H86N4O5S/c1-9-11-13-15-17-19-21-23-25-27-33-66-43(7)57-41(5)49-35-47-39(3)45(29-31-55(63)64)51(59-47)38-52-46(30-32-56(65)68)40(4)48(60-52)36-53-58(42(6)50(62-53)37-54(57)61-49)44(8)67-34-28-26-24-22-20-18-16-14-12-10-2/h35-38,43-44,60-61H,9-34H2,1-8H3,(H,63,64)(H,65,68)/b47-35-,48-36-,49-35-,50-37-,51-38-,52-38-,53-36-,54-37-
InChI key： JTXIHLCLJJDJIW-KPUZIOMISA-N
SMILES： CCCCCCCCCCCCOC(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)OCCCCCCCCCCCC)C(=C3CCC(=O)O)C)c(c1C)CCC(=O)S
Systematic name  (3)：
  • 2,7,12,18-テトラメチル-3,8-ビス(1-メチル-2-オキサテトラデカン-1-イル)-13-(2-メルカプトカルボニルエチル)-21H,23H-ポルフィリン-17-プロパン酸
  • 3-{10,15-ビス[1-(ドデシルオキシ)エチル]-5,9,14,19-テトラメチル-20-[2-(スルファニルカルボニル)エチル]-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}プロパン酸
  • 3-{10,15-bis[1-(dodecyloxy)ethyl]-5,9,14,19-tetramethyl-20-[2-(sulfanylcarbonyl)ethyl]-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}propanoic acid
Other name (1)：
  • 2,7,12,18-Tetramethyl-3,8-bis(1-methyl-2-oxatetradecane-1-yl)-13-(2-mercaptocarbonylethyl)-21H,23H-porphyrin-17-propanoic acid
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