Chem
J-GLOBAL ID：201007090466565458   Nikkaji number：J2.824.683H

2,7,12,18-Tetramethyl-3,8-diethyl-13-(2-mercaptocarbonylethyl)-21H,23H-porphyrin-17-propanoic acid

2,7,12,18-テトラメチル-3,8-ジエチル-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： C34H38N4O3S
Molecular formula furigana： C34-H38-N4-O3-S
Molecular weight： 582.760
InChI： InChI=1S/C34H38N4O3S/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35,38H,7-12H2,1-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
InChI key： FPSBUYNYEDVXJH-UJJXFSCMSA-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(c4C)CC)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-ジエチル-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-ジエチル-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-diethyl-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-diethyl-13-(2-mercaptocarbonylethyl)-21H,23H-porphyrin-17-propanoic acid
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