Chem
J-GLOBAL ID:201007055505371550   Nikkaji number:J2.822.941K

(3aS,4S,6aβ)-Hexahydro-1,3-dimethyl-2-oxo-1H-thieno[3,4-d]imidazole-4α-pentanoic acid

(3aS,4S,6aβ)-ヘキサヒドロ-1,3-ジメチル-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4α-ペンタン酸
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: C12H20N2O3S
Molecular formula furigana: C12-H20-N2-O3-S
Molecular weight: 272.360
InChI: InChI=1S/C12H20N2O3S/c1-13-8-7-18-9(5-3-4-6-10(15)16)11(8)14(2)12(13)17/h8-9,11H,3-7H2,1-2H3,(H,15,16)/t8-,9-,11-/m0/s1
InChI key: PECDAVNFXWSGFV-QXEWZRGKSA-N
SMILES: CN1[C@H]2CS[C@@H](CCCCC(=O)O)[C@H]2N(C)C1=O
Systematic name  (3):
  • (3aS,4S,6aβ)-ヘキサヒドロ-1,3-ジメチル-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4α-ペンタン酸
  • 5-[(3aS,4S,6aR)-1,3-ジメチル-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタン酸
  • 5-[(3aS,4S,6aR)-1,3-dimethyl-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Other name (1):
  • (3aS,4S,6aβ)-Hexahydro-1,3-dimethyl-2-oxo-1H-thieno[3,4-d]imidazole-4α-pentanoic acid
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