Chem
J-GLOBAL ID：201707011269960773   Nikkaji number：J3.566.398C

LCL161

(S)-N-[(S)-1-シクロヘキシル-2-[(2S)-2-[4-(4-フルオロベンゾイル)-2-チアゾリル]-1-ピロリジニル]-2-オキソエチル]-2-(メチルアミノ)プロパンアミド
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： C26H33FN4O3S
Molecular formula furigana： C26-H33-F-N4-O3-S
Molecular weight： 500.630
InChI： InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1
InChI key： UFPFGVNKHCLJJO-SSKFGXFMSA-N
SMILES： CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1
Systematic name  (3)：
  • (S)-N-[(S)-1-シクロヘキシル-2-[(2S)-2-[4-(4-フルオロベンゾイル)-2-チアゾリル]-1-ピロリジニル]-2-オキソエチル]-2-(メチルアミノ)プロパンアミド
  • (2S)-N-[(1S)-1-シクロヘキシル-2-[(2S)-2-[4-(4-フルオロベンゾイル)-1,3-チアゾール-2-イル]ピロリジン-1-イル]-2-オキソエチル]-2-(メチルアミノ)プロパンアミド
  • (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
Other name (3)：
  • (S)-N-[(S)-1-Cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)propanamide
  • LCL-161
  • LCL161
CAS registry number： 1005342-46-0
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