Chem
J-GLOBAL ID:200907022525194896   Nikkaji number:J2.135.152K

2-[[5-[(3aS,6aβ)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4α-yl]pentanoyl]amino]-3-sulfopropanoic acid

2-{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]ペンタンアミド}-3-スルホプロパン酸
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: C13H21N3O7S2
Molecular formula furigana: C13-H21-N3-O7-S2
Molecular weight: 395.450
InChI: InChI=1S/C13H21N3O7S2/c17-10(14-8(12(18)19)6-25(21,22)23)4-2-1-3-9-11-7(5-24-9)15-13(20)16-11/h7-9,11H,1-6H2,(H,14,17)(H,18,19)(H2,15,16,20)(H,21,22,23)/t7-,8?,9-,11-/m0/s1
InChI key: CKTRNCHSYCXYDC-ABRBJEARSA-N
SMILES: OC(=O)C(CS(=O)(=O)O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Systematic name  (3):
  • 2-[[5-[(3aS,6aβ)-ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4α-イル]ペンタノイル]アミノ]-3-スルホプロパン酸
  • 2-{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]ペンタンアミド}-3-スルホプロパン酸
  • 2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3-sulfopropanoic acid
Other name (1):
  • 2-[[5-[(3aS,6aβ)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4α-yl]pentanoyl]amino]-3-sulfopropanoic acid
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