Chem
J-GLOBAL ID:200907049151189716   Nikkaji number:J1.917.438G

3,3′-(Dithiobisethylene)bis[N-(tert-butoxycarbonyl)-L-alanine tert-butyl] ester

3,3′-(ジチオビスエチレン)ビス[N-(tert-ブトキシカルボニル)-L-アラニンtert-ブチル]
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: C28H52N2O8S2
Molecular formula furigana: C28-H52-N2-O8-S2
Molecular weight: 608.850
InChI: InChI=1S/C28H52N2O8S2/c1-25(2,3)35-21(31)19(29-23(33)37-27(7,8)9)15-13-17-39-40-18-14-16-20(22(32)36-26(4,5)6)30-24(34)38-28(10,11)12/h19-20H,13-18H2,1-12H3,(H,29,33)(H,30,34)/t19-,20-/m0/s1
InChI key: NUXGXJLUIKRRQY-PMACEKPBSA-N
SMILES: CC(C)(C)OC(=O)N[C@@H](CCCSSCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Systematic name  (3):
  • 3,3′-(ジチオビスエチレン)ビス[N-(tert-ブトキシカルボニル)-L-アラニンtert-ブチル]
  • tert-ブチル (2S)-5-{[(4S)-5-(tert-ブトキシ)-4-{[(tert-ブトキシ)カルボニル]アミノ}-5-オキソペンチル]ジスルファニル}-2-{[(tert-ブトキシ)カルボニル]アミノ}ペンタノアート
  • tert-butyl (2S)-5-{[(4S)-5-(tert-butoxy)-4-{[(tert-butoxy)carbonyl]amino}-5-oxopentyl]disulfanyl}-2-{[(tert-butoxy)carbonyl]amino}pentanoate
Other name (1):
  • 3,3′-(Dithiobisethylene)bis[N-(tert-butoxycarbonyl)-L-alanine tert-butyl] ester
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