Chem
J-GLOBAL ID:200907057373211577   Nikkaji number:J1.890.912J

1-[2-(9-Anthrylmethylamino)ethyl]-4,7,10-tris(tert-butoxycarbonyl)-1,4,7,10-tetraazacyclododecane

1-[2-(9-アントリルメチルアミノ)エチル]-4,7,10-トリス(tert-ブトキシカルボニル)-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: C40H59N5O6
Molecular formula furigana: C40-H59-N5-O6
Molecular weight: 705.941
InChI: InChI=1S/C40H59N5O6/c1-38(2,3)49-35(46)43-22-20-42(19-18-41-29-34-32-16-12-10-14-30(32)28-31-15-11-13-17-33(31)34)21-23-44(36(47)50-39(4,5)6)25-27-45(26-24-43)37(48)51-40(7,8)9/h10-17,28,41H,18-27,29H2,1-9H3
InChI key: VOTNQYZGQVQSLD-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCN(CCNCc2c3ccccc3cc3ccccc23)CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Systematic name  (3):
  • 1-[2-(9-アントリルメチルアミノ)エチル]-4,7,10-トリス(tert-ブトキシカルボニル)-1,4,7,10-テトラアザシクロドデカン
  • 1,4,7-トリ-tert-ブチル 10-(2-{[(アントラセン-9-イル)メチル]アミノ}エチル)-1,4,7,10-テトラアザシクロドデカン-1,4,7-トリカルボキシラート
  • 1,4,7-tri-tert-butyl 10-(2-{[(anthracen-9-yl)methyl]amino}ethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate
Other name (1):
  • 1-[2-(9-Anthrylmethylamino)ethyl]-4,7,10-tris(tert-butoxycarbonyl)-1,4,7,10-tetraazacyclododecane
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