Chem
J-GLOBAL ID:200907016982373780   Nikkaji number:J2.526.200J

1-[3-[N-[2-[2-[Methyl[4-(2-benzothiazolyl)phenyl]amino]ethoxy]-4-(cyclododecylamino)-1,3,5-triazine-6-yl]-β-alanylamino]propyl]-1,4,7,10-tetraazacyclododecane

1-[3-[N-[2-[2-[メチル[4-(2-ベンゾチアゾリル)フェニル]アミノ]エトキシ]-4-(シクロドデシルアミノ)-1,3,5-トリアジン-6-イル]-β-アラニルアミノ]プロピル]-1,4,7,10-テトラアザシクロドデカン
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: C45H70N12O2S
Molecular formula furigana: C45-H70-N12-O2-S
Molecular weight: 843.200
InChI: InChI=1S/C45H70N12O2S/c1-56(38-20-18-36(19-21-38)42-52-39-16-11-12-17-40(39)60-42)34-35-59-45-54-43(53-44(55-45)51-37-14-9-7-5-3-2-4-6-8-10-15-37)50-24-22-41(58)49-23-13-31-57-32-29-47-27-25-46-26-28-48-30-33-57/h11-12,16-21,37,46-48H,2-10,13-15,22-35H2,1H3,(H,49,58)(H2,50,51,53,54,55)
InChI key: KOXNBUWBZLBWEY-UHFFFAOYSA-N
SMILES: CN(CCOc1nc(NCCC(=O)NCCCN2CCNCCNCCNCC2)nc(NC2CCCCCCCCCCC2)n1)c1ccc(cc1)c1nc2ccccc2s1
Systematic name  (3):
  • 1-[3-[N-[2-[2-[メチル[4-(2-ベンゾチアゾリル)フェニル]アミノ]エトキシ]-4-(シクロドデシルアミノ)-1,3,5-トリアジン-6-イル]-β-アラニルアミノ]プロピル]-1,4,7,10-テトラアザシクロドデカン
  • 3-{[4-(2-{[4-(1,3-ベンゾチアゾール-2-イル)フェニル](メチル)アミノ}エトキシ)-6-(シクロドデシルアミノ)-1,3,5-トリアジン-2-イル]アミノ}-N-[3-(1,4,7,10-テトラアザシクロドデカン-1-イル)プロピル]プロパンアミド
  • 3-{[4-(2-{[4-(1,3-benzothiazol-2-yl)phenyl](methyl)amino}ethoxy)-6-(cyclododecylamino)-1,3,5-triazin-2-yl]amino}-N-[3-(1,4,7,10-tetraazacyclododecan-1-yl)propyl]propanamide
Other name (1):
  • 1-[3-[N-[2-[2-[Methyl[4-(2-benzothiazolyl)phenyl]amino]ethoxy]-4-(cyclododecylamino)-1,3,5-triazine-6-yl]-β-alanylamino]propyl]-1,4,7,10-tetraazacyclododecane
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