Chem
J-GLOBAL ID：200907049948744103   Nikkaji number：J1.601.953D

(7S,8S)-2,8,12,17-Tetramethyl-3-(methoxycarbonyl)-5-(1,2-dioxo-2-methoxyethyl)-13-vinyl-18-ethyl-7,8-dihydro-21H,23H-porphyrin-7-propionic acid

(7S,8S)-2,8,12,17-テトラメチル-3-(メトキシカルボニル)-5-(1,2-ジオキソ-2-メトキシエチル)-13-ビニル-18-エチル-7,8-ジヒドロ-21H,23H-ポルフィリン-7-プロピオン酸
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： C36H38N4O7
Molecular formula furigana： C36-H38-N4-O7
Molecular weight： 638.721
InChI： InChI=1S/C36H38N4O7/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)42)32(39-25)31(34(43)36(45)47-8)33-30(35(44)46-7)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40H,1,10-12H2,2-8H3,(H,41,42)/b23-13-,24-14-,25-13-,26-15-,27-14-,28-15-,32-31+,33-31+/t18-,22-/m0/s1
InChI key： DOINJEZQJSBRJI-MMEOGCCCSA-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)C=C)[C@H]([C@@H]3CCC(=O)O)C)/C(=O)C(=O)OC)c(c1C)C(=O)OC
Systematic name  (3)：
  • (7S,8S)-2,8,12,17-テトラメチル-3-(メトキシカルボニル)-5-(1,2-ジオキソ-2-メトキシエチル)-13-ビニル-18-エチル-7,8-ジヒドロ-21H,23H-ポルフィリン-7-プロピオン酸
  • 3-[(4S,5S)-10-エテニル-15-エチル-2-(2-メトキシ-2-オキソアセチル)-20-(メトキシカルボニル)-5,9,14,19-テトラメチル-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),2,6(24),7,9,11,13(22),14,16,18-デカエン-4-イル]プロパン酸
  • 3-[(4S,5S)-10-ethenyl-15-ethyl-2-(2-methoxy-2-oxoacetyl)-20-(methoxycarbonyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,6(24),7,9,11,13(22),14,16,18-decaen-4-yl]propanoic acid
Other name (1)：
  • (7S,8S)-2,8,12,17-Tetramethyl-3-(methoxycarbonyl)-5-(1,2-dioxo-2-methoxyethyl)-13-vinyl-18-ethyl-7,8-dihydro-21H,23H-porphyrin-7-propionic acid
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