Chem
J-GLOBAL ID：200907043312608686   Nikkaji number：J2.159.403B

N-[11-(Trimethylaminio)undecanoyl]-Ala-Leu-Leu-Leu-Glu-OHdidodecyl

N-[11-(トリメチルアミニオ)ウンデカノイル]-Ala-Leu-Leu-Leu-Glu-OHジドデシル
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： C64H123N5[N+]O9
Molecular formula furigana： C64-H123-N6-O9
Molecular weight： 1120.720
InChI： InChI=1S/C64H122N6O9/c1-13-15-17-19-21-23-27-31-35-39-45-78-59(72)43-42-54(64(77)79-46-40-36-32-28-24-22-20-18-16-14-2)66-61(74)56(48-51(5)6)68-63(76)57(49-52(7)8)69-62(75)55(47-50(3)4)67-60(73)53(9)65-58(71)41-37-33-29-25-26-30-34-38-44-70(10,11)12/h50-57H,13-49H2,1-12H3,(H4-,65,66,67,68,69,71,73,74,75,76)/p+1/t53-,54-,55-,56-,57-/m0/s1
InChI key： POZBKNLWUNGPJW-LATZRPSYSA-O
SMILES： CCCCCCCCCCCCOC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCCCCCC[N+](C)(C)C)C(=O)OCCCCCCCCCCCC
Systematic name  (3)：
  • N-[11-(トリメチルアミニオ)ウンデカノイル]-Ala-Leu-Leu-Leu-Glu-OHジドデシル
  • (10-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1,5-ビス(ドデシルオキシ)-1,5-ジオキソペンタン-2-イル]カルバモイル}-3-メチルブチル]カルバモイル}-3-メチルブチル]カルバモイル}-3-メチルブチル]カルバモイル}エチル]カルバモイル}デシル)トリメチルアザニウム
  • (10-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1,5-bis(dodecyloxy)-1,5-dioxopentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}decyl)trimethylazanium
Other name (1)：
  • N-[11-(Trimethylaminio)undecanoyl]-Ala-Leu-Leu-Leu-Glu-OHdidodecyl
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