Chem
J-GLOBAL ID:200907050423640011   Nikkaji number:J2.402.986G

[[(1S,2S)-2-(tert-Butyloxycarbonylmethylamino)cyclohexyl][2-(tert-butyloxycarbonylmethylamino)-2-(2-nitrophenylsulfonyl)ethyl]amino]acetic acid tert-butyl ester

[[(1S,2S)-2-(tert-ブチルオキシカルボニルメチルアミノ)シクロヘキシル][2-(tert-ブチルオキシカルボニルメチルアミノ)-2-(2-ニトロフェニルスルホニル)エチル]アミノ]酢酸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: C32H52N3[N+]O9[O-]S
Molecular formula furigana: C32-H52-N4-O10-S
Molecular weight: 684.850
InChI: InChI=1S/C32H52N4O10S/c1-30(2,3)44-27(37)18-33-22-14-10-11-15-23(22)35(21-29(39)46-32(7,8)9)20-26(34-19-28(38)45-31(4,5)6)47(42,43)25-17-13-12-16-24(25)36(40)41/h12-13,16-17,22-23,26,33-34H,10-11,14-15,18-21H2,1-9H3/t22-,23-,26?/m0/s1
InChI key: NNRZENLRGIQVKO-XAWUTYGVSA-N
SMILES: CC(C)(C)OC(=O)CNC(CN(CC(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NCC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-]
Systematic name  (3):
  • [[(1S,2S)-2-(tert-ブチルオキシカルボニルメチルアミノ)シクロヘキシル][2-(tert-ブチルオキシカルボニルメチルアミノ)-2-(2-ニトロフェニルスルホニル)エチル]アミノ]酢酸tert-ブチル
  • tert-ブチル 2-{[(1S,2S)-2-{[2-(tert-ブトキシ)-2-オキソエチル](2-{[2-(tert-ブトキシ)-2-オキソエチル]アミノ}-2-(2-ニトロベンゼンスルホニル)エチル)アミノ}シクロヘキシル]アミノ}アセタート
  • tert-butyl 2-{[(1S,2S)-2-{[2-(tert-butoxy)-2-oxoethyl](2-{[2-(tert-butoxy)-2-oxoethyl]amino}-2-(2-nitrobenzenesulfonyl)ethyl)amino}cyclohexyl]amino}acetate
Other name (1):
  • [[(1S,2S)-2-(tert-Butyloxycarbonylmethylamino)cyclohexyl][2-(tert-butyloxycarbonylmethylamino)-2-(2-nitrophenylsulfonyl)ethyl]amino]acetic acid tert-butyl ester
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