Chem
J-GLOBAL ID：200907000675360154   Nikkaji number：J1.556.770H

(4S)-4α-Hydroxy-5β-(acetylamino)-6α-(1-ethylpropoxy)-5,6-dihydro-4H-pyran-2-carboxylic acid

(4S)-4α-ヒドロキシ-5β-(アセチルアミノ)-6α-(1-エチルプロポキシ)-5,6-ジヒドロ-4H-ピラン-2-カルボン酸
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： C13H21NO6
Molecular formula furigana： C13-H21-N-O6
Molecular weight： 287.312
InChI： InChI=1S/C13H21NO6/c1-4-8(5-2)19-13-11(14-7(3)15)9(16)6-10(20-13)12(17)18/h6,8-9,11,13,16H,4-5H2,1-3H3,(H,14,15)(H,17,18)/t9-,11+,13+/m0/s1
InChI key： UUULUCUBSUJBNQ-UFGOTCBOSA-N
SMILES： CCC(CC)O[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)C)C(=O)O
Systematic name  (3)：
  • (4S)-4α-ヒドロキシ-5β-(アセチルアミノ)-6α-(1-エチルプロポキシ)-5,6-ジヒドロ-4H-ピラン-2-カルボン酸
  • (2R,3R,4S)-3-アセトアミド-4-ヒドロキシ-2-(ペンタン-3-イルオキシ)-3,4-ジヒドロ-2H-ピラン-6-カルボン酸
  • (2R,3R,4S)-3-acetamido-4-hydroxy-2-(pentan-3-yloxy)-3,4-dihydro-2H-pyran-6-carboxylic acid
Other name (1)：
  • (4S)-4α-Hydroxy-5β-(acetylamino)-6α-(1-ethylpropoxy)-5,6-dihydro-4H-pyran-2-carboxylic acid
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