Chem
J-GLOBAL ID:200907000880685490   Nikkaji number:J1.068.817E

N2-Boc-N6-[5-[(3aS,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4α-yl]-1-oxopentyl]-N-(11-oxo-12-chlorododecyl)-L-lysinamide

N2-Boc-N6-[5-[(3aS,6aR)-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]-1-オキソペンチル]-N-(11-オキソ-12-クロロドデシル)-L-リシンアミド
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: C33H58ClN5O6S
Molecular formula furigana: C33-H58-CL-N5-O6-S
Molecular weight: 688.370
InChI: InChI=1S/C33H58ClN5O6S/c1-33(2,3)45-32(44)38-25(30(42)36-21-14-9-7-5-4-6-8-10-16-24(40)22-34)17-13-15-20-35-28(41)19-12-11-18-27-29-26(23-46-27)37-31(43)39-29/h25-27,29H,4-23H2,1-3H3,(H,35,41)(H,36,42)(H,38,44)(H2,37,39,43)/t25-,26-,27-,29-/m0/s1
InChI key: QPXLYJXNCAYHRL-QFVIIZQESA-N
SMILES: CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)NCCCCCCCCCCC(=O)CCl
Systematic name  (3):
  • N2-Boc-N6-[5-[(3aS,6aR)-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]-1-オキソペンチル]-N-(11-オキソ-12-クロロドデシル)-L-リシンアミド
  • tert-ブチル N-[(1S)-5-{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}-1-[(12-クロロ-11-オキソドデシル)カルバモイル]ペンチル]カルバマート
  • tert-butyl N-[(1S)-5-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1-[(12-chloro-11-oxododecyl)carbamoyl]pentyl]carbamate
Other name (1):
  • N2-Boc-N6-[5-[(3aS,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4α-yl]-1-oxopentyl]-N-(11-oxo-12-chlorododecyl)-L-lysinamide
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