Chem
J-GLOBAL ID:201807001011788366   Nikkaji number:J3.727.863G

N-Octadecyl-Nα-[4-[4-(4,4,4-trifluoro-1,3-dioxobutyl)phenoxy]-1,4-dioxobutyl]-L-isoleucinamide

N-オクタデシル-Nα-[4-[4-(4,4,4-トリフルオロ-1,3-ジオキソブチル)フェノキシ]-1,4-ジオキソブチル]-L-イソロイシンアミド
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: C38H59F3N2O6
Molecular formula furigana: C38-H59-F3-N2-O6
Molecular weight: 696.893
InChI: InChI=1S/C38H59F3N2O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-42-37(48)36(29(3)5-2)43-34(46)25-26-35(47)49-31-23-21-30(22-24-31)32(44)28-33(45)38(39,40)41/h21-24,29,36H,4-20,25-28H2,1-3H3,(H,42,48)(H,43,46)/t29-,36-/m0/s1
InChI key: YELDCPUOZYMAQM-IVUOSGLUSA-N
SMILES: CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](NC(=O)CCC(=O)Oc1ccc(cc1)C(=O)CC(=O)C(F)(F)F)[C@@H](C)CC
Systematic name  (3):
  • N-オクタデシル-Nα-[4-[4-(4,4,4-トリフルオロ-1,3-ジオキソブチル)フェノキシ]-1,4-ジオキソブチル]-L-イソロイシンアミド
  • 4-(4,4,4-トリフルオロ-3-オキソブタノイル)フェニル 3-{[(1S,2S)-2-メチル-1-(オクタデシルカルバモイル)ブチル]カルバモイル}プロパノアート
  • 4-(4,4,4-trifluoro-3-oxobutanoyl)phenyl 3-{[(1S,2S)-2-methyl-1-(octadecylcarbamoyl)butyl]carbamoyl}propanoate
Other name (1):
  • N-Octadecyl-Nα-[4-[4-(4,4,4-trifluoro-1,3-dioxobutyl)phenoxy]-1,4-dioxobutyl]-L-isoleucinamide
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