Chem
J-GLOBAL ID：200907028703491857   Nikkaji number：J2.250.605F

2-[[4-[(3-Methyl-1H-imidazole-3-ium)1-yl]butyryl]amino]pentanedioic acid bis[2-[3,4-bis(undecyloxy)phenyl]ethyl] ester

2-[[4-[(3-メチル-1H-イミダゾール-3-イウム)1-イル]ブチリル]アミノ]ペンタン二酸ビス[2-[3,4-ビス(ウンデシルオキシ)フェニル]エチル]
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： C73H124N2[N+]O9
Molecular formula furigana： C73-H124-N3-O9
Molecular weight： 1187.806
InChI： InChI=1S/C73H123N3O9/c1-6-10-14-18-22-26-30-34-38-55-80-67-47-44-64(61-69(67)82-57-40-36-32-28-24-20-16-12-8-3)50-59-84-72(78)49-46-66(74-71(77)43-42-52-76-54-53-75(5)63-76)73(79)85-60-51-65-45-48-68(81-56-39-35-31-27-23-19-15-11-7-2)70(62-65)83-58-41-37-33-29-25-21-17-13-9-4/h44-45,47-48,53-54,61-63,66H,6-43,46,49-52,55-60H2,1-5H3/p+1
InChI key： DNOSSVWUBFKOEX-UHFFFAOYSA-O
SMILES： CCCCCCCCCCCOc1ccc(CCOC(=O)CCC(NC(=O)CCCn2cc[n+](C)c2)C(=O)OCCc2ccc(OCCCCCCCCCCC)c(OCCCCCCCCCCC)c2)cc1OCCCCCCCCCCC
Systematic name  (3)：
  • 2-[[4-[(3-メチル-1H-イミダゾール-3-イウム)1-イル]ブチリル]アミノ]ペンタン二酸ビス[2-[3,4-ビス(ウンデシルオキシ)フェニル]エチル]
  • 1-(3-{[1,5-ビス({2-[3,4-ビス(ウンデシルオキシ)フェニル]エトキシ})-1,5-ジオキソペンタン-2-イル]カルバモイル}プロピル)-3-メチル-1H-イミダゾール-3-イウム
  • 1-(3-{[1,5-bis({2-[3,4-bis(undecyloxy)phenyl]ethoxy})-1,5-dioxopentan-2-yl]carbamoyl}propyl)-3-methyl-1H-imidazol-3-ium
Other name (1)：
  • 2-[[4-[(3-Methyl-1H-imidazole-3-ium)1-yl]butyryl]amino]pentanedioic acid bis[2-[3,4-bis(undecyloxy)phenyl]ethyl] ester
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