Chem
J-GLOBAL ID：200907076325917527   Nikkaji number：J2.031.240H

(3R)-1-[(tert-Butoxycarbonyl)imino]-3α-(9-hydroxynonyl)-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylic acid 2-tert-butyl 4-[4-[2,3-bis(tert-butoxycarbonyl)guanidino]butyl] ester

(3R)-1-[(tert-ブトキシカルボニル)イミノ]-3α-(9-ヒドロキシノニル)-1,2,3,5,6,7-ヘキサヒドロピロロ[1,2-c]ピリミジン-2,4-ジカルボン酸2-tert-ブチル4-[4-[2,3-ビス(tert-ブトキシカルボニル)グアニジノ]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： C42H72N6O11
Molecular formula furigana： C42-H72-N6-O11
Molecular weight： 837.069
InChI： InChI=1S/C42H72N6O11/c1-39(2,3)56-35(51)44-33(45-36(52)57-40(4,5)6)43-25-19-21-28-55-32(50)31-29-24-22-26-47(29)34(46-37(53)58-41(7,8)9)48(38(54)59-42(10,11)12)30(31)23-18-16-14-13-15-17-20-27-49/h30,49H,13-28H2,1-12H3,(H2,43,44,45,51,52)/t30-/m1/s1
InChI key： JPBWMUIRKGRPGN-SSEXGKCCSA-N
SMILES： CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)NCCCCOC(=O)C1=C2CCCN2C(=NC(=O)OC(C)(C)C)N([C@@H]1CCCCCCCCCO)C(=O)OC(C)(C)C
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-ヒドロキシノニル)-1,2,3,5,6,7-ヘキサヒドロピロロ[1,2-c]ピリミジン-4-カルボン酸4-[2,3-ビス(tert-ブチルオキシカルボニル)グアニジノ]ブチル
  • (3R)-1-[(tert-ブトキシカルボニル)イミノ]-3α-(9-ヒドロキシノニル)-1,2,3,5,6,7-ヘキサヒドロピロロ[1,2-c]ピリミジン-2,4-ジカルボン酸2-tert-ブチル4-[4-[2,3-ビス(tert-ブトキシカルボニル)グアニジノ]ブチル]
  • 4-{4-[({[(tert-ブトキシ)カルボニル]アミノ}({[(tert-ブトキシ)カルボニル]イミノ})メチル)アミノ]ブチル} 2-tert-ブチル (3R)-1-{[(tert-ブトキシ)カルボニル]イミノ}-3-(9-ヒドロキシノニル)-1H,2H,3H,5H,6H,7H-ピロロ[1,2-c]ピリミジン-2,4-ジカルボキシラート
  • 4-{4-[({[(tert-butoxy)carbonyl]amino}({[(tert-butoxy)carbonyl]imino})methyl)amino]butyl} 2-tert-butyl (3R)-1-{[(tert-butoxy)carbonyl]imino}-3-(9-hydroxynonyl)-1H,2H,3H,5H,6H,7H-pyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate
Other name (2)：
  • (3R)-1-(tert-Butyloxycarbonylimino)-2-(tert-butyloxycarbonyl)-3-(9-hydroxynonyl)-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid 4-[2,3-bis(tert-butyloxycarbonyl)guanidino]butyl ester
  • (3R)-1-[(tert-Butoxycarbonyl)imino]-3α-(9-hydroxynonyl)-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylic acid 2-tert-butyl 4-[4-[2,3-bis(tert-butoxycarbonyl)guanidino]butyl] ester
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