Chem
J-GLOBAL ID:200907010120863148   Nikkaji number:J2.515.773G

(2R,3E,5R)-2-(4-tert-Butoxybenzyl)-5-[(9H-fluorene-9-ylmethoxycarbonyl)amino]-6-(4-tert-butoxyphenyl)-3-hexenoic acid

(2R,3E,5R)-2-(4-tert-ブトキシベンジル)-5-[(9H-フルオレン-9-イルメトキシカルボニル)アミノ]-6-(4-tert-ブトキシフェニル)-3-ヘキセン酸
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: C42H47NO6
Molecular formula furigana: C42-H47-N-O6
Molecular weight: 661.839
InChI: InChI=1S/C42H47NO6/c1-41(2,3)48-32-21-15-28(16-22-32)25-30(39(44)45)19-20-31(26-29-17-23-33(24-18-29)49-42(4,5)6)43-40(46)47-27-38-36-13-9-7-11-34(36)35-12-8-10-14-37(35)38/h7-24,30-31,38H,25-27H2,1-6H3,(H,43,46)(H,44,45)/b20-19+/t30-,31-/m0/s1
InChI key: ARCFCDREOARSHV-DFEFZUDFSA-N
SMILES: CC(C)(C)Oc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3c3ccccc23)/C=C/[C@@H](Cc2ccc(OC(C)(C)C)cc2)C(=O)O)cc1
Systematic name  (3):
  • (2R,3E,5R)-2-(4-tert-ブトキシベンジル)-5-[(9H-フルオレン-9-イルメトキシカルボニル)アミノ]-6-(4-tert-ブトキシフェニル)-3-ヘキセン酸
  • (2R,3E,5R)-6-[4-(tert-ブトキシ)フェニル]-2-{[4-(tert-ブトキシ)フェニル]メチル}-5-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)ヘキサ-3-エン酸
  • (2R,3E,5R)-6-[4-(tert-butoxy)phenyl]-2-{[4-(tert-butoxy)phenyl]methyl}-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hex-3-enoic acid
Other name (1):
  • (2R,3E,5R)-2-(4-tert-Butoxybenzyl)-5-[(9H-fluorene-9-ylmethoxycarbonyl)amino]-6-(4-tert-butoxyphenyl)-3-hexenoic acid
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