Chem
J-GLOBAL ID：201507036227464447   Nikkaji number：J3.351.476J

[[2,7,13,17-Tetramethyl-18-vinyl-2-hydroxy-3-[2-(ethoxyimino)ethylidene]chlorin-8,12-diyl]bis[(3-oxotrimethylene)nitrilo]]tetra(acetic acid methyl) ester

[[2,7,13,17-テトラメチル-18-ビニル-2-ヒドロキシ-3-[2-(エトキシイミノ)エチリデン]クロリン-8,12-ジイル]ビス[(3-オキソトリメチレン)ニトリロ]]四(酢酸メチル)
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： C48H57N7O12
Molecular formula furigana： C48-H57-N7-O12
Molecular weight： 924.021
InChI： InChI=1S/C48H57N7O12/c1-11-30-27(3)34-19-35-28(4)31(13-15-42(56)54(23-44(58)63-7)24-45(59)64-8)37(50-35)21-38-32(14-16-43(57)55(25-46(60)65-9)26-47(61)66-10)29(5)36(51-38)20-40-33(17-18-49-67-12-2)48(6,62)41(53-40)22-39(30)52-34/h11,17-22,50,53,62H,1,12-16,23-26H2,2-10H3/b33-17?,34-19-,38-21-,40-20-,41-22-,49-18?
InChI key： CZRPKWPRLVZWQG-MMIMKGPKSA-N
SMILES： CCON=CC=C1/C/2=C/C3=N/C(=C\c4[nH]c(/C=C/5\N=C(/C=C(\N2)/C1(C)O)C(=C5C)C=C)c(C)c4CCC(=O)N(CC(=O)OC)CC(=O)OC)/C(=C3C)CCC(=O)N(CC(=O)OC)CC(=O)OC
Systematic name  (3)：
  • [[2,7,13,17-テトラメチル-18-ビニル-2-ヒドロキシ-3-[2-(エトキシイミノ)エチリデン]クロリン-8,12-ジイル]ビス[(3-オキソトリメチレン)ニトリロ]]四(酢酸メチル)
  • メチル 2-[3-(20-{2-[ビス(2-メトキシ-2-オキソエチル)カルバモイル]エチル}-14-エテニル-9-[2-(エトキシイミノ)エチリデン]-10-ヒドロキシ-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(20),2,4,6(24),7,11,13(22),14,16,18-デカエン-4-イル)-N-(2-メトキシ-2-オキソエチル)プロパンアミド]アセタート
  • methyl 2-[3-(20-{2-[bis(2-methoxy-2-oxoethyl)carbamoyl]ethyl}-14-ethenyl-9-[2-(ethoxyimino)ethylidene]-10-hydroxy-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,11,13(22),14,16,18-decaen-4-yl)-N-(2-methoxy-2-oxoethyl)propanamido]acetate
Other name (1)：
  • [[2,7,13,17-Tetramethyl-18-vinyl-2-hydroxy-3-[2-(ethoxyimino)ethylidene]chlorin-8,12-diyl]bis[(3-oxotrimethylene)nitrilo]]tetra(acetic acid methyl) ester
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