Chem
J-GLOBAL ID：200907001626341833   Nikkaji number：J2.094.324F

(3aS)-1-(tert-Butoxycarbonyl)-4β-[3-(tert-butoxycarbonylamino)propyl]-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester

(3aS)-1-(tert-ブトキシカルボニル)-4β-[3-(tert-ブトキシカルボニルアミノ)プロピル]-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン-8-カルボン酸メチル
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： C26H39N3O6
Molecular formula furigana： C26-H39-N3-O6
Molecular weight： 489.613
InChI： InChI=1S/C26H39N3O6/c1-25(2,3)34-23(31)27-13-8-9-19-17-12-14-29(24(32)35-26(4,5)6)21(17)18-15-16(22(30)33-7)10-11-20(18)28-19/h10-11,15,17,19,21,28H,8-9,12-14H2,1-7H3,(H,27,31)/t17-,19+,21-/m0/s1
InChI key： PCUKANKFMSEPDV-DSKINZAPSA-N
SMILES： COC(=O)c1ccc2N[C@H](CCCNC(=O)OC(C)(C)C)[C@@H]3CCN([C@@H]3c2c1)C(=O)OC(C)(C)C
Systematic name  (3)：
  • (3aS)-1-(tert-ブトキシカルボニル)-4β-[3-(tert-ブトキシカルボニルアミノ)プロピル]-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン-8-カルボン酸メチル
  • 1-tert-ブチル 8-メチル (3aS,4R,9bS)-4-(3-{[(tert-ブトキシ)カルボニル]アミノ}プロピル)-1H,2H,3H,3aH,4H,5H,9bH-ピロロ[3,2-c]キノリン-1,8-ジカルボキシラート
  • 1-tert-butyl 8-methyl (3aS,4R,9bS)-4-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H,2H,3H,3aH,4H,5H,9bH-pyrrolo[3,2-c]quinoline-1,8-dicarboxylate
Other name (1)：
  • (3aS)-1-(tert-Butoxycarbonyl)-4β-[3-(tert-butoxycarbonylamino)propyl]-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester
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