Chem
J-GLOBAL ID：200907070675157705
Nikkaji number：J1.073.494K
(3aβ,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4α-pentanoic acid 2,5-dioxo-3-pyrroline-1-yl ester
(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-ペンタン酸2,5-ジオキソ-3-ピロリン-1-イル
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
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
Molecular formula： C14H17N3O5S
Molecular formula furigana： C14-H17-N3-O5-S
Molecular weight： 339.370
InChI：
InChI=1S/C14H17N3O5S/c18-10-5-6-11(19)17(10)22-12(20)4-2-1-3-9-13-8(7-23-9)15-14(21)16-13/h5-6,8-9,13H,1-4,7H2,(H2,15,16,21)/t8-,9-,13-/m0/s1
InChI key：
VGELQSYMPVGACL-RVBZMBCESA-N
SMILES：
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)ON1C(=O)C=CC1=O
Systematic name (3)：
- (3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-ペンタン酸2,5-ジオキソ-3-ピロリン-1-イル
- 2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-イル 5-[(3aS,4S,6aR)-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]ペンタノアート
- 2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
- (3aβ,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4α-pentanoic acid 2,5-dioxo-3-pyrroline-1-yl ester
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