Chem
J-GLOBAL ID：200907000190130290   Nikkaji number：J1.097.749E

(6S)-1-(4-Nitrophenylsulfonyl)-6β-(methylcarbamoyl)-8-oxo-9α-isobutyl-1,7-diazacyclotridecane-10β-carboxylic acid tert-butyl ester

(6S)-1-(4-ニトロフェニルスルホニル)-6β-(メチルカルバモイル)-8-オキソ-9α-イソブチル-1,7-ジアザシクロトリデカン-10β-カルボン酸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： C28H44N3[N+]O7[O-]S
Molecular formula furigana： C28-H44-N4-O8-S
Molecular weight： 596.740
InChI： InChI=1S/C28H44N4O8S/c1-19(2)18-23-22(27(35)40-28(3,4)5)10-9-17-31(16-8-7-11-24(26(34)29-6)30-25(23)33)41(38,39)21-14-12-20(13-15-21)32(36)37/h12-15,19,22-24H,7-11,16-18H2,1-6H3,(H,29,34)(H,30,33)/t22-,23?,24?/m0/s1
InChI key： ZLUVKRZOBIYQLN-BOMBAVFCSA-N
SMILES： CNC(=O)C1CCCCN(CCC[C@@H](C(CC(C)C)C(=O)N1)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • (6S)-1-(4-ニトロフェニルスルホニル)-6β-(メチルカルバモイル)-8-オキソ-9α-イソブチル-1,7-ジアザシクロトリデカン-10β-カルボン酸tert-ブチル
  • tert-ブチル (6S,9R,10S)-6-(メチルカルバモイル)-9-(2-メチルプロピル)-1-(4-ニトロベンゼンスルホニル)-8-オキソ-1,7-ジアザシクロトリデカン-10-カルボキシラート
  • tert-butyl (6S,9R,10S)-6-(methylcarbamoyl)-9-(2-methylpropyl)-1-(4-nitrobenzenesulfonyl)-8-oxo-1,7-diazacyclotridecane-10-carboxylate
Other name (1)：
  • (6S)-1-(4-Nitrophenylsulfonyl)-6β-(methylcarbamoyl)-8-oxo-9α-isobutyl-1,7-diazacyclotridecane-10β-carboxylic acid tert-butyl ester
Thsaurus map：
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