Chem
J-GLOBAL ID:200907005696010120
Nikkaji number:J1.985.107I
N-[11-(Trimethylaminio)undecanoyl]-L-Leu-L-Leu-L-Leu-L-Leu-L-Glu-OHdidodecyl
N-[11-(トリメチルアミニオ)ウンデカノイル]-L-Leu-L-Leu-L-Leu-L-Leu-L-Glu-OHジドデシル
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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:
C67 H129 N5 [N+]O9
Molecular formula furigana:
C67-H129-N6-O9
Molecular weight:
1162.801
InChI:
InChI=1S/C67H128N6O9/c1-14-16-18-20-22-24-28-32-36-40-46-81-62(75)44-43-56(67(80)82-47-41-37-33-29-25-23-21-19-17-15-2)69-64(77)58(49-53(5)6)71-66(79)60(51-55(9)10)72-65(78)59(50-54(7)8)70-63(76)57(48-52(3)4)68-61(74)42-38-34-30-26-27-31-35-39-45-73(11,12)13/h52-60H,14-51H2,1-13H3,(H4-,68,69,70,71,72,74,76,77,78,79)/p+1/t56-,57-,58-,59-,60-/m0/s1
InChI key:
DATZQLBTKAFICV-HAUDDGJISA-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](CC(C)C)NC(=O)CCCCCCCCCC[N+](C)(C)C)C(=O)OCCCCCCCCCCCC
Systematic name (4):
N-[11-(トリメチルアミニオ)ウンデカノイル]-Leu-Leu-Leu-Leu-3-(ドデシルオキシカルボニルメチル)-Ala-OHドデシル
N-[11-(トリメチルアミニオ)ウンデカノイル]-L-Leu-L-Leu-L-Leu-L-Leu-L-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}-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-{[(1S)-1-{[(1S)-1-{[(2S)-1,5-bis(dodecyloxy)-1,5-dioxopentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}decyl)trimethylazanium
Other name (2):
N-[11-(Trimethylaminio)undecanoyl]-Leu-Leu-Leu-Leu-3-(dodecyloxycarbonylmethyl)-Ala-OHdodecyl
N-[11-(Trimethylaminio)undecanoyl]-L-Leu-L-Leu-L-Leu-L-Leu-L-Glu-OHdidodecyl
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