Chem
J-GLOBAL ID：200907082068973313   Nikkaji number：J281.736E

N-L-α-Aspartyl-2-fluoro-D-phenylglycine 1-[(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2α-yl] ester

N-L-α-アスパルチル-2-フルオロ-D-フェニルグリシン1-[(1S)-1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-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： C22H29FN2O5
Molecular formula furigana： C22-H29-F-N2-O5
Molecular weight： 420.481
InChI： InChI=1S/C22H29FN2O5/c1-21(2)12-8-9-22(3,11-12)20(21)30-19(29)17(13-6-4-5-7-14(13)23)25-18(28)15(24)10-16(26)27/h4-7,12,15,17,20H,8-11,24H2,1-3H3,(H,25,28)(H,26,27)/t12?,15-,17+,20+,22-/m0/s1
InChI key： QDUKTTRIWBBFKU-LLDSIUTRSA-N
SMILES： CC1(C)C2CC[C@@](C)(C2)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1F
Systematic name  (3)：
  • N-L-α-アスパルチル-2-フルオロ-D-フェニルグリシン1-[(1S)-1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2α-イル]
  • (3S)-3-アミノ-3-{[(1R)-1-(2-フルオロフェニル)-2-オキソ-2-{[(1S,2S)-1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2-イル]オキシ}エチル]カルバモイル}プロパン酸
  • (3S)-3-amino-3-{[(1R)-1-(2-fluorophenyl)-2-oxo-2-{[(1S,2S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]oxy}ethyl]carbamoyl}propanoic acid
Other name (1)：
  • N-L-α-Aspartyl-2-fluoro-D-phenylglycine 1-[(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2α-yl] ester
Thsaurus map：
Thesaurus Map

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