Chem
J-GLOBAL ID：201107089342431819   Nikkaji number：J2.929.191H

8,8-[2,3-Bis[4-[4-(3-dodecylureido)butoxy]phenyl]-1,4-diaza-1,3-butadiene-1,4-diyl]-5,6-bis[4-[4-(3-dodecylureido)butoxy]phenyl]-4,7-diazapentacyclo[8.8.2.12,16.19,13.03,7]docosane-1,3,5,9(22),10,12,16(21),17-octaene

8,8-[2,3-ビス[4-[4-(3-ドデシルウレイド)ブトキシ]フェニル]-1,4-ジアザ-1,3-ブタジエン-1,4-ジイル]-5,6-ビス[4-[4-(3-ドデシルウレイド)ブトキシ]フェニル]-4,7-ジアザペンタシクロ[8.8.2.12,16.19,13.03,7]ドコサン-1,3,5,9(22),10,12,16(21),17-オクタエン
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： C114H170N12O8
Molecular formula furigana： C114-H170-N12-O8
Molecular weight： 1836.690
InChI： InChI=1S/C114H170N12O8/c1-5-9-13-17-21-25-29-33-37-41-77-115-110(127)119-81-45-49-85-131-99-69-61-95(62-70-99)105-106(96-63-71-100(72-64-96)132-86-50-46-82-120-111(128)116-78-42-38-34-30-26-22-18-14-10-6-2)125-114(124-105)104-90-92-54-53-91-55-57-93(59-60-94(104)58-56-92)103(89-91)109-123-107(97-65-73-101(74-66-97)133-87-51-47-83-121-112(129)117-79-43-39-35-31-27-23-19-15-11-7-3)108(126(109)114)98-67-75-102(76-68-98)134-88-52-48-84-122-113(130)118-80-44-40-36-32-28-24-20-16-12-8-4/h55-58,61-76,89-90H,5-54,59-60,77-88H2,1-4H3,(H2,115,119,127)(H2,116,120,128)(H2,117,121,129)(H2,118,122,130)
InChI key： QFIGAWIAODBQDK-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCNC(=O)NCCCCOc1ccc(cc1)C1=NC2(N=C1c1ccc(OCCCCNC(=O)NCCCCCCCCCCCC)cc1)c1cc3CCc4ccc(CCc1cc3)c(c4)c1nc(c(c3ccc(OCCCCNC(=O)NCCCCCCCCCCCC)cc3)n21)c1ccc(OCCCCNC(=O)NCCCCCCCCCCCC)cc1
Systematic name  (3)：
  • 8,8-[2,3-ビス[4-[4-(3-ドデシルウレイド)ブトキシ]フェニル]-1,4-ジアザ-1,3-ブタジエン-1,4-ジイル]-5,6-ビス[4-[4-(3-ドデシルウレイド)ブトキシ]フェニル]-4,7-ジアザペンタシクロ[8.8.2.12,16.19,13.03,7]ドコサン-1,3,5,9(22),10,12,16(21),17-オクタエン
  • 3-ドデシル-1-(4-{4-[4,6',7'-トリス(4-{4-[(ドデシルカルバモイル)アミノ]ブトキシ}フェニル)-5',8'-ジアザスピロ[イミダゾール-2,9'-ペンタシクロ[10.8.2.03,18.04,8.010,15]ドコサン]-1'(20'),2',4',6',10',12',14',18'-オクタエン-5-イル]フェノキシ}ブチル)尿素
  • 3-dodecyl-1-(4-{4-[4,6',7'-tris(4-{4-[(dodecylcarbamoyl)amino]butoxy}phenyl)-5',8'-diazaspiro[imidazole-2,9'-pentacyclo[10.8.2.03,18.04,8.010,15]docosan]-1'(20'),2',4',6',10',12',14',18'-octaen-5-yl]phenoxy}butyl)urea
Other name (1)：
  • 8,8-[2,3-Bis[4-[4-(3-dodecylureido)butoxy]phenyl]-1,4-diaza-1,3-butadiene-1,4-diyl]-5,6-bis[4-[4-(3-dodecylureido)butoxy]phenyl]-4,7-diazapentacyclo[8.8.2.12,16.19,13.03,7]docosane-1,3,5,9(22),10,12,16(21),17-octaene
Thsaurus map：
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