Chem
J-GLOBAL ID：200907070549718432   Nikkaji number：J2.050.447A

[(5S)-5-(tert-Butoxycarbonyl)-5-[bis[2-[bis(2-tert-butoxy-2-oxoethyl)amino]ethyl]amino]pentyl] isocyanate

tert-ブチル (2S)-2-[ビス(2-{ビス[2-(tert-ブトキシ)-2-オキソエチル]アミノ}エチル)アミノ]-6-イソシアナトヘキサノアート
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： C39H70N4O11
Molecular formula furigana： C39-H70-N4-O11
Molecular weight： 771.006
InChI： InChI=1S/C39H70N4O11/c1-35(2,3)50-30(45)24-41(25-31(46)51-36(4,5)6)20-22-43(29(18-16-17-19-40-28-44)34(49)54-39(13,14)15)23-21-42(26-32(47)52-37(7,8)9)27-33(48)53-38(10,11)12/h29H,16-27H2,1-15H3/t29-/m0/s1
InChI key： NTMFOWOLXXGAKC-LJAQVGFWSA-N
SMILES： CC(C)(C)OC(=O)CN(CCN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)[C@@H](CCCCN=C=O)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Systematic name  (4)：
  • 2,2′,2′′,2′′′-[[[(1S)-1-(tert-ブトキシカルボニル)-5-イソシアナトペンチル]イミノ]ビス(エチレン)ビス(ニトリロ)]テトラキス(酢酸tert-ブチル)
  • [(5S)-5-(tert-ブトキシカルボニル)-5-[ビス[2-[ビス(2-tert-ブトキシ-2-オキソエチル)アミノ]エチル]アミノ]ペンチル]イソシアナート
  • tert-ブチル (2S)-2-[ビス(2-{ビス[2-(tert-ブトキシ)-2-オキソエチル]アミノ}エチル)アミノ]-6-イソシアナトヘキサノアート
  • tert-butyl (2S)-2-[bis(2-{bis[2-(tert-butoxy)-2-oxoethyl]amino}ethyl)amino]-6-isocyanatohexanoate
Other name (2)：
  • 2,2′,2′′,2′′′-[[[(1S)-1-(tert-Butoxycarbonyl)-5-isocyanatopentyl]imino]bis(ethylene)bis(nitrilo)]tetrakis(acetic acid tert-butyl) ester
  • [(5S)-5-(tert-Butoxycarbonyl)-5-[bis[2-[bis(2-tert-butoxy-2-oxoethyl)amino]ethyl]amino]pentyl] isocyanate
Thsaurus map：
Thesaurus Map

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