Chem
J-GLOBAL ID:200907037608428950   Nikkaji number:J475.484K

2-ベンジル-2-シアノプロパン酸(1S,4R)-10-(ジシクロヘキシルスルファモイル)ボルナン-2α-イル

2-ベンジル-2-シアノプロパン酸(1S,4R)-10-(ジシクロヘキシルスルファモイル)ボルナン-2α-イル
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: C33H48N2O4S
Molecular formula furigana: C33-H48-N2-O4-S
Molecular weight: 568.820
InChI: InChI=1S/C33H48N2O4S/c1-31(2)26-19-20-33(31,29(21-26)39-30(36)32(3,23-34)22-25-13-7-4-8-14-25)24-40(37,38)35(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4,7-8,13-14,26-29H,5-6,9-12,15-22,24H2,1-3H3/t26-,29-,32?,33-/m1/s1
InChI key: NQRSPHFZJMMDHS-HBOUIUCJSA-N
SMILES: CC(Cc1ccccc1)(C#N)C(=O)O[C@@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N(C1CCCCC1)C1CCCCC1)C2(C)C
Systematic name  (3):
  • 2-ベンジル-2-シアノプロパン酸(1S,4R)-10-(ジシクロヘキシルスルファモイル)ボルナン-2α-イル
  • (1S,2R,4R)-1-[(ジシクロヘキシルスルファモイル)メチル]-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-イル 2-シアノ-2-メチル-3-フェニルプロパノアート
  • (1S,2R,4R)-1-[(dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-yl 2-cyano-2-methyl-3-phenylpropanoate
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