Chem
J-GLOBAL ID：200907054155530173   Nikkaji number：J391.800I

Agropine

アグロピン
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： C11H20N2O7
Molecular formula furigana： C11-H20-N2-O7
Molecular weight： 292.288
InChI： InChI=1S/C11H20N2O7/c12-8(16)2-1-5-11(19)20-7(3-13-5)10(18)9(17)6(15)4-14/h5-7,9-10,13-15,17-18H,1-4H2,(H2,12,16)/t5-,6+,7+,9+,10+/m0/s1
InChI key： HCWLJSDMOMMDRF-SZWOQXJISA-N
SMILES： NC(=O)CC[C@@H]1NC[C@@H](OC1=O)[C@@H](O)[C@H](O)[C@H](O)CO
Systematic name  (3)：
  • (3S)-2-オキソ-6α-[(1S,2R,3R)-1,2,3,4-テトラヒドロキシブチル]モルホリン-3α-プロパンアミド
  • 3-[(3S,6R)-2-オキソ-6-[(1S,2R,3R)-1,2,3,4-テトラヒドロキシブチル]モルホリン-3-イル]プロパンアミド
  • 3-[(3S,6R)-2-oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide
Other name (3)：
  • アグロピン
  • Agropine
  • (3S)-2-Oxo-6α-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholine-3α-propanamide
CAS registry number： 70699-77-3
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