Chem
J-GLOBAL ID:200907016832190059   Nikkaji number:J1.828.546K

9,9′′-[(Adamantane-1,3-diyl)bisiminobiscarbonylbisoxy]bis[(8S,9R)-6′-methoxycinchonan]

9,9′′-[(アダマンタン-1,3-ジイル)ビスイミノビスカルボニルビスオキシ]ビス[(8S,9R)-6′-メトキシシンコナン]
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: C52H62N6O6
Molecular formula furigana: C52-H62-N6-O6
Molecular weight: 867.104
InChI: InChI=1S/C52H62N6O6/c1-5-33-28-57-17-13-35(33)20-45(57)47(39-11-15-53-43-9-7-37(61-3)22-41(39)43)63-49(59)55-51-24-31-19-32(25-51)27-52(26-31,30-51)56-50(60)64-48(46-21-36-14-18-58(46)29-34(36)6-2)40-12-16-54-44-10-8-38(62-4)23-42(40)44/h5-12,15-16,22-23,31-36,45-48H,1-2,13-14,17-21,24-30H2,3-4H3,(H,55,59)(H,56,60)/t31?,32?,33-,34-,35-,36-,45-,46-,47+,48+,51-,52?/m0/s1
InChI key: IIRMIRJHZYXOMO-FJRWPVCVSA-N
SMILES: COc1ccc2nccc([C@@H](OC(=O)NC34CC5CC(C3)C[C@](C5)(C4)NC(=O)O[C@@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c3ccnc4ccc(OC)cc34)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Systematic name  (3):
  • 9,9′′-[(アダマンタン-1,3-ジイル)ビスイミノビスカルボニルビスオキシ]ビス[(8S,9R)-6′-メトキシシンコナン]
  • (R)-[(2S,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](6-メトキシキノリン-4-イル)メチル N-[3-({[(R)-[(2S,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](6-メトキシキノリン-4-イル)メトキシ]カルボニル}アミノ)アダマンタン-1-イル]カルバマート
  • (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl N-[3-({[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methoxy]carbonyl}amino)adamantan-1-yl]carbamate
Other name (1):
  • 9,9′′-[(Adamantane-1,3-diyl)bisiminobiscarbonylbisoxy]bis[(8S,9R)-6′-methoxycinchonan]
Thsaurus map:

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