Chem
J-GLOBAL ID：200907022438492716   Nikkaji number：J2.734.919F

33-[[2-[2-[2-[2-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-yl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]amino]-5,33-dioxo-9,12,15,18,21,24,27,30-octaoxa-6-azatritriacontaneoic acid

4-({26-[(2-{2-[2-(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}エトキシ)エトキシ]エトキシ}エチル)カルバモイル]-3,6,9,12,15,18,21,24-オクタオキサヘキサコサン-1-イル}カルバモイル)ブタン酸
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： C42H77N5O17S
Molecular formula furigana： C42-H77-N5-O17-S
Molecular weight： 956.160
InChI： InChI=1S/C42H77N5O17S/c48-37(5-2-1-4-36-41-35(34-65-36)46-42(53)47-41)43-9-13-55-17-21-59-22-18-57-15-11-45-39(50)8-12-54-16-20-58-24-26-61-28-30-63-32-33-64-31-29-62-27-25-60-23-19-56-14-10-44-38(49)6-3-7-40(51)52/h35-36,41H,1-34H2,(H,43,48)(H,44,49)(H,45,50)(H,51,52)(H2,46,47,53)/t35-,36-,41-/m0/s1
InChI key： WKIXQQZKAGWHEZ-XRBIJUOGSA-N
SMILES： OC(=O)CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Systematic name  (3)：
  • 33-[[2-[2-[2-[2-[[5-[(3aS,4S,6aR)-ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタノイル]アミノ]エトキシ]エトキシ]エトキシ]エチル]アミノ]-5,33-ジオキソ-9,12,15,18,21,24,27,30-オクタオキサ-6-アザトリトリアコンタン酸
  • 4-({26-[(2-{2-[2-(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}エトキシ)エトキシ]エトキシ}エチル)カルバモイル]-3,6,9,12,15,18,21,24-オクタオキサヘキサコサン-1-イル}カルバモイル)ブタン酸
  • 4-({26-[(2-{2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl}carbamoyl)butanoic acid
Other name (1)：
  • 33-[[2-[2-[2-[2-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-yl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]amino]-5,33-dioxo-9,12,15,18,21,24,27,30-octaoxa-6-azatritriacontaneoic acid
Thsaurus map：
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