Chem
J-GLOBAL ID:200907096731554487   Nikkaji number:J276.679E

N-(L-α-Aspartyl)-D-phenylglycine 1-[(1S)-5α-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2α-yl] ester

N-(L-α-アスパルチル)-D-フェニルグリシン1-[(1S)-5α-ヒドロキシ-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: C22H30N2O6
Molecular formula furigana: C22-H30-N2-O6
Molecular weight: 418.490
InChI: InChI=1S/C22H30N2O6/c1-21(2)13-10-22(3,11-15(13)25)20(21)30-19(29)17(12-7-5-4-6-8-12)24-18(28)14(23)9-16(26)27/h4-8,13-15,17,20,25H,9-11,23H2,1-3H3,(H,24,28)(H,26,27)/t13?,14-,15+,17+,20+,22-/m0/s1
InChI key: OCGXGKGVJATYAU-XZDPNMKKSA-N
SMILES: C[C@@]12C[C@@H](O)C(C1)C(C)(C)[C@H]2OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1
Systematic name  (3):
  • N-(L-α-アスパルチル)-D-フェニルグリシン1-[(1S)-5α-ヒドロキシ-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)-2-{[(1S,2S,5R)-5-ヒドロキシ-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}-2-オキソ-1-フェニルエチル]カルバモイル}プロパン酸
  • (3S)-3-amino-3-{[(1R)-2-{[(1S,2S,5R)-5-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]oxy}-2-oxo-1-phenylethyl]carbamoyl}propanoic acid
Other name (1):
  • N-(L-α-Aspartyl)-D-phenylglycine 1-[(1S)-5α-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2α-yl] ester
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