Chem
J-GLOBAL ID:200907048022231459   Nikkaji number:J1.601.952F

(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 methyl ester

(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: C37H40N4O7
Molecular formula furigana: C37-H40-N4-O7
Molecular weight: 652.748
InChI: InChI=1S/C37H40N4O7/c1-10-21-17(3)24-14-26-19(5)23(12-13-30(42)46-7)33(40-26)32(35(43)37(45)48-9)34-31(36(44)47-8)20(6)27(41-34)16-29-22(11-2)18(4)25(39-29)15-28(21)38-24/h10,14-16,19,23,38,41H,1,11-13H2,2-9H3/b24-14-,25-15-,26-14-,27-16-,28-15-,29-16-,33-32+,34-32+/t19-,23-/m0/s1
InChI key: CCVDEFXTCMRJQH-KOENCZKBSA-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)OC)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-プロピオン酸メチル
  • メチル (19S,20S)-14-エテニル-9-エチル-2-(2-メトキシ-2-オキソアセチル)-20-(3-メトキシ-3-オキソプロピル)-5,10,15,19-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-1,3,5,7,9,11(23),12,14,16,18(21)-デカエン-4-カルボキシラート
  • methyl (19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoacetyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaene-4-carboxylate
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 methyl ester
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