Chem
J-GLOBAL ID：200907057464423313   Nikkaji number：J2.031.237H

(3R)-1-(tert-Butyloxycarbonylimino)-2-(tert-butyloxycarbonyl)-3-[9-(4-methoxybenzyloxy)nonyl]-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carbaldehyde

(3R)-1-[(tert-ブトキシカルボニル)イミノ]-3α-[9-(4-メトキシベンジルオキシ)ノニル]-4-ホルミル-1,2,3,5,6,7-ヘキサヒドロピロロ[1,2-c]ピリミジン-2-カルボン酸tert-ブチル
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： C35H53N3O7
Molecular formula furigana： C35-H53-N3-O7
Molecular weight： 627.823
InChI： InChI=1S/C35H53N3O7/c1-34(2,3)44-32(40)36-31-37-22-15-17-29(37)28(24-39)30(38(31)33(41)45-35(4,5)6)16-13-11-9-8-10-12-14-23-43-25-26-18-20-27(42-7)21-19-26/h18-21,24,30H,8-17,22-23,25H2,1-7H3/t30-/m1/s1
InChI key： INQRTEZFAXEONF-SSEXGKCCSA-N
SMILES： COc1ccc(COCCCCCCCCC[C@H]2N(C(=O)OC(C)(C)C)C(=NC(=O)OC(C)(C)C)N3CCCC3=C2C=O)cc1
Systematic name  (4)：
  • (3R)-1-(tert-ブチルオキシカルボニルイミノ)-2-(tert-ブチルオキシカルボニル)-3-[9-(4-メトキシベンジルオキシ)ノニル]-1,2,3,5,6,7-ヘキサヒドロピロロ[1,2-c]ピリミジン-4-カルボアルデヒド
  • (3R)-1-[(tert-ブトキシカルボニル)イミノ]-3α-[9-(4-メトキシベンジルオキシ)ノニル]-4-ホルミル-1,2,3,5,6,7-ヘキサヒドロピロロ[1,2-c]ピリミジン-2-カルボン酸tert-ブチル
  • tert-ブチル (3R)-1-{[(tert-ブトキシ)カルボニル]イミノ}-4-ホルミル-3-{9-[(4-メトキシフェニル)メトキシ]ノニル}-1H,2H,3H,5H,6H,7H-ピロロ[1,2-c]ピリミジン-2-カルボキシラート
  • tert-butyl (3R)-1-{[(tert-butoxy)carbonyl]imino}-4-formyl-3-{9-[(4-methoxyphenyl)methoxy]nonyl}-1H,2H,3H,5H,6H,7H-pyrrolo[1,2-c]pyrimidine-2-carboxylate
Other name (2)：
  • (3R)-1-(tert-Butyloxycarbonylimino)-2-(tert-butyloxycarbonyl)-3-[9-(4-methoxybenzyloxy)nonyl]-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carbaldehyde
  • (3R)-1-[(tert-Butoxycarbonyl)imino]-3α-[9-(4-methoxybenzyloxy)nonyl]-4-formyl-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-2-carboxylic acid tert-butyl ester
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