Chem
J-GLOBAL ID：200907082906559290   Nikkaji number：J2.314.876E

2-[(R)-(tert-Butoxycarbonylamino)cyclohexylmethyl]malonic acid dibenzyl ester

2-[(R)-(tert-ブトキシカルボニルアミノ)シクロヘキシルメチル]マロン酸ジベンジル
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： C29H37NO6
Molecular formula furigana： C29-H37-N-O6
Molecular weight： 495.616
InChI： InChI=1S/C29H37NO6/c1-29(2,3)36-28(33)30-25(23-17-11-6-12-18-23)24(26(31)34-19-21-13-7-4-8-14-21)27(32)35-20-22-15-9-5-10-16-22/h4-5,7-10,13-16,23-25H,6,11-12,17-20H2,1-3H3,(H,30,33)/t25-/m1/s1
InChI key： AGUPFWDJIXRKPS-RUZDIDTESA-N
SMILES： CC(C)(C)OC(=O)N[C@@H](C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C1CCCCC1
Systematic name  (3)：
  • 2-[(R)-(tert-ブトキシカルボニルアミノ)シクロヘキシルメチル]マロン酸ジベンジル
  • 1,3-ジベンジル 2-[(R)-{[(tert-ブトキシ)カルボニル]アミノ}(シクロヘキシル)メチル]プロパンジオアート
  • 1,3-dibenzyl 2-[(R)-{[(tert-butoxy)carbonyl]amino}(cyclohexyl)methyl]propanedioate
Other name (1)：
  • 2-[(R)-(tert-Butoxycarbonylamino)cyclohexylmethyl]malonic acid dibenzyl ester
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