Chem
J-GLOBAL ID：200907055908908782   Nikkaji number：J276.671J

N-(L-α-Aspartyl)-D-phenylglycine 1-[2,2,4,4-tetramethylthietan-3-yl] ester

N-(L-α-アスパルチル)-D-フェニルグリシン1-[2,2,4,4-テトラメチルチエタン-3-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： C19H26N2O5S
Molecular formula furigana： C19-H26-N2-O5-S
Molecular weight： 394.490
InChI： InChI=1S/C19H26N2O5S/c1-18(2)17(19(3,4)27-18)26-16(25)14(11-8-6-5-7-9-11)21-15(24)12(20)10-13(22)23/h5-9,12,14,17H,10,20H2,1-4H3,(H,21,24)(H,22,23)/t12-,14+/m0/s1
InChI key： VPAXWWBCFWCJLE-GXTWGEPZSA-N
SMILES： CC1(C)SC(C)(C)C1OC(=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-[2,2,4,4-テトラメチルチエタン-3-イル]
  • (3S)-3-アミノ-3-{[(1R)-2-オキソ-1-フェニル-2-[(2,2,4,4-テトラメチルチエタン-3-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-[(2,2,4,4-tetramethylthietan-3-yl)oxy]ethyl]carbamoyl}propanoic acid
Other name (1)：
  • N-(L-α-Aspartyl)-D-phenylglycine 1-[2,2,4,4-tetramethylthietan-3-yl] ester
Thsaurus map：
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