Chem
J-GLOBAL ID：200907021378340109   Nikkaji number：J2.556.000K

VX-765

N-(3-クロロ-4-アミノベンゾイル)-3-メチル-L-Val-L-Pro-[(2R)-2β-エトキシ-5-オキソテトラヒドロフラン-3β-イル]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： C24H33ClN4O6
Molecular formula furigana： C24-H33-CL-N4-O6
Molecular weight： 509.000
InChI： InChI=1S/C24H33ClN4O6/c1-5-34-23-16(12-18(30)35-23)27-21(32)17-7-6-10-29(17)22(33)19(24(2,3)4)28-20(31)13-8-9-15(26)14(25)11-13/h8-9,11,16-17,19,23H,5-7,10,12,26H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,19+,23+/m0/s1
InChI key： SJDDOCKBXFJEJB-MOKWFATOSA-N
SMILES： CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C
Systematic name  (3)：
  • N-(3-クロロ-4-アミノベンゾイル)-3-メチル-L-Val-L-Pro-[(2R)-2β-エトキシ-5-オキソテトラヒドロフラン-3β-イル]NH2
  • (2S)-1-[(2S)-2-[(4-アミノ-3-クロロフェニル)ホルムアミド]-3,3-ジメチルブタノイル]-N-[(2R,3S)-2-エトキシ-5-オキソオキソラン-3-イル]ピロリジン-2-カルボキサミド
  • (2S)-1-[(2S)-2-[(4-amino-3-chlorophenyl)formamido]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
Other name (2)：
  • N-(3-Chloro-4-aminobenzoyl)-3-methyl-L-Val-L-Pro-[(2R)-2β-ethoxy-5-oxotetrahydrofuran-3β-yl]NH2
  • VX-765
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