Chem
J-GLOBAL ID：200907042390409014   Nikkaji number：J1.601.954B

(7S,8S,25R)-2,8,12,17-Tetramethyl-13-vinyl-18-ethyl-25-(methoxycarbonyl)-26-oxo-7,8-dihydro-3,5-ethano-21H,23H-porphyrin-7-propionic acid methyl ester

(7S,8S,25R)-2,8,12,17-テトラメチル-13-ビニル-18-エチル-25-(メトキシカルボニル)-26-オキソ-7,8-ジヒドロ-3,5-エタノ-21H,23H-ポルフィリン-7-プロピオン酸メチル
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： C36H38N4O5
Molecular formula furigana： C36-H38-N4-O5
Molecular weight： 606.723
InChI： InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37,40H,1,10-12H2,2-8H3/b23-13+,24-14-,25-13-,26-15-,27-14+,28-15-,33-31-/t18-,22-,32+/m0/s1
InChI key： IWKYEJKHXKRZIJ-FJDDHIMNSA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1c(c3C(=O)[C@@H](/C(=C\4/N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C=C)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C(=O)OC)C
Systematic name  (1)：
  • (7S,8S,25R)-2,8,12,17-テトラメチル-13-ビニル-18-エチル-25-(メトキシカルボニル)-26-オキソ-7,8-ジヒドロ-3,5-エタノ-21H,23H-ポルフィリン-7-プロピオン酸メチル
Other name (1)：
  • (7S,8S,25R)-2,8,12,17-Tetramethyl-13-vinyl-18-ethyl-25-(methoxycarbonyl)-26-oxo-7,8-dihydro-3,5-ethano-21H,23H-porphyrin-7-propionic acid methyl ester
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