Chem
J-GLOBAL ID：200907086976840480   Nikkaji number：J1.409.631K

3,3′-[2-(tert-Butoxycarbonylamino)-2-(3-oxo-3-hydroxypropoxy)propane-1,3-diylbisoxy]bispropionic acid

3-[(2-{[(tert-ブトキシ)カルボニル]アミノ}-1,3-ビス(2-カルボキシエトキシ)プロパン-2-イル)オキシ]プロパン酸
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： C17H29NO11
Molecular formula furigana： C17-H29-N-O11
Molecular weight： 423.415
InChI： InChI=1S/C17H29NO11/c1-16(2,3)29-15(25)18-17(28-9-6-14(23)24,10-26-7-4-12(19)20)11-27-8-5-13(21)22/h4-11H2,1-3H3,(H,18,25)(H,19,20)(H,21,22)(H,23,24)
InChI key： PDSAEHOPAGPQLY-UHFFFAOYSA-N
SMILES： CC(C)(C)OC(=O)NC(COCCC(=O)O)(COCCC(=O)O)OCCC(=O)O
Systematic name  (3)：
  • 3,3′-[2-(tert-ブトキシカルボニルアミノ)-2-(3-オキソ-3-ヒドロキシプロポキシ)プロパン-1,3-ジイルビスオキシ]ビスプロピオン酸
  • 3-[(2-{[(tert-ブトキシ)カルボニル]アミノ}-1,3-ビス(2-カルボキシエトキシ)プロパン-2-イル)オキシ]プロパン酸
  • 3-[(2-{[(tert-butoxy)carbonyl]amino}-1,3-bis(2-carboxyethoxy)propan-2-yl)oxy]propanoic acid
Other name (1)：
  • 3,3′-[2-(tert-Butoxycarbonylamino)-2-(3-oxo-3-hydroxypropoxy)propane-1,3-diylbisoxy]bispropionic acid
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