Chem
J-GLOBAL ID：200907029492207800   Nikkaji number：J276.667A

N-(L-α-Aspartyl)-D-phenylglycine 1-[1,2,2-trimethylpropyl] ester

N-(L-α-アスパルチル)-D-フェニルグリシン1-[1,2,2-トリメチルプロピル]
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： C18H26N2O5
Molecular formula furigana： C18-H26-N2-O5
Molecular weight： 350.415
InChI： InChI=1S/C18H26N2O5/c1-11(18(2,3)4)25-17(24)15(12-8-6-5-7-9-12)20-16(23)13(19)10-14(21)22/h5-9,11,13,15H,10,19H2,1-4H3,(H,20,23)(H,21,22)/t11?,13-,15+/m0/s1
InChI key： YJBNZLGWKPDONL-RDNFXGMISA-N
SMILES： CC(OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1)C(C)(C)C
Systematic name  (3)：
  • N-(L-α-アスパルチル)-D-フェニルグリシン1-[1,2,2-トリメチルプロピル]
  • (3S)-3-アミノ-3-{[(1R)-2-[(3,3-ジメチルブタン-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-[(3,3-dimethylbutan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl}propanoic acid
Other name (1)：
  • N-(L-α-Aspartyl)-D-phenylglycine 1-[1,2,2-trimethylpropyl] ester
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