Chem
J-GLOBAL ID:200907017139969995   Nikkaji number:J1.470.040D

1-(Ethoxycarbonyl)-2-[4-hydroxy-3,5-bis[bis(2-pyridylmethyl)aminomethyl]phenyl]ethylcarbamic acid tert-butyl ester

1-(エトキシカルボニル)-2-[4-ヒドロキシ-3,5-ビス[ビス(2-ピリジルメチル)アミノメチル]フェニル]エチルカルバミド酸tert-ブチル
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: C42H49N7O5
Molecular formula furigana: C42-H49-N7-O5
Molecular weight: 731.898
InChI: InChI=1S/C42H49N7O5/c1-5-53-40(51)38(47-41(52)54-42(2,3)4)24-31-22-32(25-48(27-34-14-6-10-18-43-34)28-35-15-7-11-19-44-35)39(50)33(23-31)26-49(29-36-16-8-12-20-45-36)30-37-17-9-13-21-46-37/h6-23,38,50H,5,24-30H2,1-4H3,(H,47,52)
InChI key: ATMVPFHHUNZAFT-UHFFFAOYSA-N
SMILES: CCOC(=O)C(Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1)NC(=O)OC(C)(C)C
Systematic name  (3):
  • 1-(エトキシカルボニル)-2-[4-ヒドロキシ-3,5-ビス[ビス(2-ピリジルメチル)アミノメチル]フェニル]エチルカルバミド酸tert-ブチル
  • エチル 3-[3,5-ビス({ビス[(ピリジン-2-イル)メチル]アミノ}メチル)-4-ヒドロキシフェニル]-2-{[(tert-ブトキシ)カルボニル]アミノ}プロパノアート
  • ethyl 3-[3,5-bis({bis[(pyridin-2-yl)methyl]amino}methyl)-4-hydroxyphenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoate
Other name (1):
  • 1-(Ethoxycarbonyl)-2-[4-hydroxy-3,5-bis[bis(2-pyridylmethyl)aminomethyl]phenyl]ethylcarbamic acid tert-butyl ester
Thsaurus map:

Return to Previous Page