Chem
J-GLOBAL ID：201107020959135001   Nikkaji number：J2.915.724C

(1R,4R,7S,10R,13R,16S,19R,22R,25S,28R,31R,34S)-4,22-Dibenzyl-13,31-bis[(benzyloxy)methyl]-6,15,24,33-tetramethyl-3,6,12,15,21,24,30,33-octaazapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-2,5,11,14,20,23,29,32-octaone

(1R,4R,7S,10R,13R,16S,19R,22R,25S,28R,31R,34S)-4,22-ジベンジル-13,31-ビス[(ベンジルオキシ)メチル]-6,15,24,33-テトラメチル-3,6,12,15,21,24,30,33-オクタアザペンタシクロ[32.2.1.17,10.116,19.125,28]テトラコンタン-2,5,11,14,20,23,29,32-オクタオン
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： C66H84N8O10
Molecular formula furigana： C66-H84-N8-O10
Molecular weight： 1149.444
InChI： InChI=1S/C66H84N8O10/c1-71-51-29-27-49(37-51)61(77)69-57(41-83-39-45-21-13-7-14-22-45)65(81)74(4)54-32-26-48(36-54)60(76)68-56(34-44-19-11-6-12-20-44)64(80)72(2)52-30-28-50(38-52)62(78)70-58(42-84-40-46-23-15-8-16-24-46)66(82)73(3)53-31-25-47(35-53)59(75)67-55(63(71)79)33-43-17-9-5-10-18-43/h5-24,47-58H,25-42H2,1-4H3,(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t47-,48-,49-,50-,51+,52+,53+,54+,55-,56-,57-,58-/m1/s1
InChI key： KBMODLBUVGAZQA-RFAGCDLJSA-N
SMILES： CN1[C@H]2CC[C@H](C2)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@H]2CC[C@H](C2)C(=O)N[C@H](COCc2ccccc2)C(=O)N(C)[C@H]2CC[C@H](C2)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@H]2CC[C@H](C2)C(=O)N[C@H](COCc2ccccc2)C1=O
Systematic name  (3)：
  • (1R,4R,7S,10R,13R,16S,19R,22R,25S,28R,31R,34S)-4,22-ジベンジル-13,31-ビス[(ベンジルオキシ)メチル]-6,15,24,33-テトラメチル-3,6,12,15,21,24,30,33-オクタアザペンタシクロ[32.2.1.17,10.116,19.125,28]テトラコンタン-2,5,11,14,20,23,29,32-オクタオン
  • (1S,4R,7R,10S,13R,16R,19S,22R,25R,28S,31R,34R)-4,22-ジベンジル-13,31-ビス[(ベンジルオキシ)メチル]-2,11,20,29-テトラメチル-2,5,11,14,20,23,29,32-オクタアザペンタシクロ[32.2.1.17,10.116,19.125,28]テトラコンタン-3,6,12,15,21,24,30,33-オクタオン
  • (1S,4R,7R,10S,13R,16R,19S,22R,25R,28S,31R,34R)-4,22-dibenzyl-13,31-bis[(benzyloxy)methyl]-2,11,20,29-tetramethyl-2,5,11,14,20,23,29,32-octaazapentacyclo[32.2.1.17,10.116,19.125,28]tetracontan-3,6,12,15,21,24,30,33-octone
Other name (1)：
  • (1R,4R,7S,10R,13R,16S,19R,22R,25S,28R,31R,34S)-4,22-Dibenzyl-13,31-bis[(benzyloxy)methyl]-6,15,24,33-tetramethyl-3,6,12,15,21,24,30,33-octaazapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-2,5,11,14,20,23,29,32-octaone
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