Chem
J-GLOBAL ID:201007013512104423   Nikkaji number:J2.849.430K

ω-[2-(2-Azidoethoxy)ethyl]-Nα-(9H-fluorene-9-ylmethoxycarbonyl)-ω,ω′-bis(tert-butyloxycarbonyl)-L-Arg-L-Pro-OH

ω-[2-(2-アジドエトキシ)エチル]-Nα-(9H-フルオレン-9-イルメトキシカルボニル)-ω,ω′-ビス(tert-ブチルオキシカルボニル)-L-Arg-L-Pro-OH
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: C40H54N6[N-][N+]O10
Molecular formula furigana: C40-H54-N8-O10
Molecular weight: 806.918
InChI: InChI=1S/C40H54N8O10/c1-39(2,3)57-37(53)45-35(48(38(54)58-40(4,5)6)22-24-55-23-20-43-46-41)42-19-11-17-31(33(49)47-21-12-18-32(47)34(50)51)44-36(52)56-25-30-28-15-9-7-13-26(28)27-14-8-10-16-29(27)30/h7-10,13-16,30-32H,11-12,17-25H2,1-6H3,(H,44,52)(H,50,51)(H,42,45,53)/t31-,32-/m0/s1
InChI key: WBFBEGLDSNCBMH-ACHIHNKUSA-N
SMILES: CC(C)(C)OC(=O)N=C(NCCC[C@H](NC(=O)OCC1c2ccccc2c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O)N(CCOCCN=[N+]=[N-])C(=O)OC(C)(C)C
Systematic name  (3):
  • ω-[2-(2-アジドエトキシ)エチル]-Nα-(9H-フルオレン-9-イルメトキシカルボニル)-ω,ω′-ビス(tert-ブチルオキシカルボニル)-L-Arg-L-Pro-OH
  • (2S)-1-[(2S)-5-[({[2-(2-アジドエトキシ)エチル][(tert-ブトキシ)カルボニル]アミノ}({[(tert-ブトキシ)カルボニル]イミノ})メチル)アミノ]-2-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)ペンタノイル]ピロリジン-2-カルボン酸
  • (2S)-1-[(2S)-5-[({[2-(2-azidoethoxy)ethyl][(tert-butoxy)carbonyl]amino}({[(tert-butoxy)carbonyl]imino})methyl)amino]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoyl]pyrrolidine-2-carboxylic acid
Other name (1):
  • ω-[2-(2-Azidoethoxy)ethyl]-Nα-(9H-fluorene-9-ylmethoxycarbonyl)-ω,ω′-bis(tert-butyloxycarbonyl)-L-Arg-L-Pro-OH
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