Chem
J-GLOBAL ID:200907024947455059
Nikkaji number:J1.985.108G
N-[11-(Trimethylaminio)undecanoyl]-Leu-Leu-3-(dodecyloxycarbonylmethyl)-Ala-OHdodecyl
N-[11-(トリメチルアミニオ)ウンデカノイル]-Leu-Leu-3-(ドデシルオキシカルボニルメチル)-Ala-OHドデシル
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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:
C55 H107 N3 [N+]O7
Molecular formula furigana:
C55-H107-N4-O7
Molecular weight:
936.481
InChI:
InChI=1S/C55H106N4O7/c1-10-12-14-16-18-20-24-28-32-36-42-65-52(61)40-39-48(55(64)66-43-37-33-29-25-21-19-17-15-13-11-2)57-54(63)50(45-47(5)6)58-53(62)49(44-46(3)4)56-51(60)38-34-30-26-22-23-27-31-35-41-59(7,8)9/h46-50H,10-45H2,1-9H3,(H2-,56,57,58,60,62,63)/p+1/t48-,49-,50-/m0/s1
InChI key:
DFHBKXKUEKJRFC-HJENIEFXSA-O
SMILES:
CCCCCCCCCCCCOC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)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]-Leu-Leu-3-(ドデシルオキシカルボニルメチル)-Ala-OHドデシル
(10-{[(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}デシル)トリメチルアザニウム
(10-{[(1S)-1-{[(1S)-1-{[(2S)-1,5-bis(dodecyloxy)-1,5-dioxopentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}decyl)trimethylazanium
Other name (1):
N-[11-(Trimethylaminio)undecanoyl]-Leu-Leu-3-(dodecyloxycarbonylmethyl)-Ala-OHdodecyl
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