Chem
J-GLOBAL ID：200907029213421970   Nikkaji number：J1.210.807I

RWJ-56110

N-[N-[1-(2,6-ジクロロベンジル)-3-(ピロリジノメチル)-1H-インドール-6-イル]カルバモイル]-3,4-ジフルオロ-L-Phe-L-A2bu-ベンジルNH2
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： C41H43Cl2F2N7O3
Molecular formula furigana： C41-H43-CL2-F2-N7-O3
Molecular weight： 790.740
InChI： InChI=1S/C41H43Cl2F2N7O3/c42-32-9-6-10-33(43)31(32)25-52-24-28(23-51-17-4-5-18-51)30-13-12-29(21-38(30)52)48-41(55)50-37(20-27-11-14-34(44)35(45)19-27)40(54)49-36(15-16-46)39(53)47-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37H,4-5,15-18,20,22-23,25,46H2,(H,47,53)(H,49,54)(H2,48,50,55)/t36-,37-/m0/s1
InChI key： SWPAWRHBFNDXEU-BCRBLDSWSA-N
SMILES： NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Systematic name  (3)：
  • N-[N-[1-(2,6-ジクロロベンジル)-3-(ピロリジノメチル)-1H-インドール-6-イル]カルバモイル]-3,4-ジフルオロ-L-Phe-L-A2bu-ベンジルNH2
  • (2S)-4-アミノ-N-ベンジル-2-[(2S)-2-[({1-[(2,6-ジクロロフェニル)メチル]-3-[(ピロリジン-1-イル)メチル]-1H-インドール-6-イル}カルバモイル)アミノ]-3-(3,4-ジフルオロフェニル)プロパンアミド]ブタンアミド
  • (2S)-4-amino-N-benzyl-2-[(2S)-2-[({1-[(2,6-dichlorophenyl)methyl]-3-[(pyrrolidin-1-yl)methyl]-1H-indol-6-yl}carbamoyl)amino]-3-(3,4-difluorophenyl)propanamido]butanamide
Other name (2)：
  • N-[N-[1-(2,6-Dichlorobenzyl)-3-(pyrrolizinomethyl)-1H-indole-6-yl]carbamoyl]-3,4-difluoro-L-Phe-L-A2bu-benzyl NH2
  • RWJ-56110
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