Chem
J-GLOBAL ID：200907091934148598   Nikkaji number：J276.681G

N-(L-α-Aspartyl)-D-phenylglycine 1-[(1S)-2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3α-yl] ester

N-(L-α-アスパルチル)-D-フェニルグリシン1-[(1S)-2,2,4-トリメチル-7-オキサビシクロ[2.2.1]ヘプタン-3α-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： C21H28N2O6
Molecular formula furigana： C21-H28-N2-O6
Molecular weight： 404.463
InChI： InChI=1S/C21H28N2O6/c1-20(2)14-9-10-21(3,29-14)19(20)28-18(27)16(12-7-5-4-6-8-12)23-17(26)13(22)11-15(24)25/h4-8,13-14,16,19H,9-11,22H2,1-3H3,(H,23,26)(H,24,25)/t13-,14-,16+,19-,21?/m0/s1
InChI key： YMUJERKBENIAJN-ZLCHGQCFSA-N
SMILES： CC1(C)[C@@H]2CCC(C)(O2)[C@H]1OC(=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)-2,2,4-トリメチル-7-オキサビシクロ[2.2.1]ヘプタン-3α-イル]
  • (3S)-3-アミノ-3-{[(1R)-2-オキソ-1-フェニル-2-{[(2S,4S)-1,3,3-トリメチル-7-オキサビシクロ[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)-2-oxo-1-phenyl-2-{[(2S,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}ethyl]carbamoyl}propanoic acid
Other name (1)：
  • N-(L-α-Aspartyl)-D-phenylglycine 1-[(1S)-2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3α-yl] ester
Thsaurus map：
Thesaurus Map

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