Chem
J-GLOBAL ID：201707012081125768   Nikkaji number：J3.605.323B

N-[(2S,13R,14S)-2-Isopropyl-3,6,8,11,15-pentaoxo-5-benzyl-7,7,13-trimethyl-10-(1-methylpropyl)-1,4,9,12-tetraoxacyclopentadecane-14-yl]-2-benzyloxy-3-(formylamino)benzamide

N-[(2S,13R,14S)-2-イソプロピル-3,6,8,11,15-ペンタオキソ-5-ベンジル-7,7,13-トリメチル-10-(1-メチルプロピル)-1,4,9,12-テトラオキサシクロペンタデカン-14-イル]-2-ベンジルオキシ-3-(ホルミルアミノ)ベンズアミド
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： C43H50N2O12
Molecular formula furigana： C43-H50-N2-O12
Molecular weight： 786.875
InChI： InChI=1S/C43H50N2O12/c1-8-26(4)35-41(51)54-27(5)33(45-38(48)30-20-15-21-31(44-24-46)36(30)53-23-29-18-13-10-14-19-29)39(49)56-34(25(2)3)40(50)55-32(22-28-16-11-9-12-17-28)37(47)43(6,7)42(52)57-35/h9-21,24-27,32-35H,8,22-23H2,1-7H3,(H,44,46)(H,45,48)/t26?,27-,32?,33+,34+,35?/m1/s1
InChI key： BDEBIACAAIATNL-CIJVQRQZSA-N
SMILES： CCC(C)C1OC(=O)C(C)(C)C(=O)C(Cc2ccccc2)OC(=O)[C@@H](OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2OCc2ccccc2)[C@@H](C)OC1=O)C(C)C
Systematic name  (3)：
  • N-[(2S,13R,14S)-2-イソプロピル-3,6,8,11,15-ペンタオキソ-5-ベンジル-7,7,13-トリメチル-10-(1-メチルプロピル)-1,4,9,12-テトラオキサシクロペンタデカン-14-イル]-2-ベンジルオキシ-3-(ホルミルアミノ)ベンズアミド
  • N-[(3S,6S,7R)-15-ベンジル-10-(ブタン-2-イル)-7,13,13-トリメチル-2,5,9,12,14-ペンタオキソ-3-(プロパン-2-イル)-1,4,8,11-テトラオキサシクロペンタデカン-6-イル]-2-(ベンジルオキシ)-3-ホルムアミドベンズアミド
  • N-[(3S,6S,7R)-15-benzyl-10-(butan-2-yl)-7,13,13-trimethyl-2,5,9,12,14-pentaoxo-3-(propan-2-yl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]-2-(benzyloxy)-3-formamidobenzamide
Other name (1)：
  • N-[(2S,13R,14S)-2-Isopropyl-3,6,8,11,15-pentaoxo-5-benzyl-7,7,13-trimethyl-10-(1-methylpropyl)-1,4,9,12-tetraoxacyclopentadecane-14-yl]-2-benzyloxy-3-(formylamino)benzamide
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