Chem
J-GLOBAL ID：200907091074351226   Nikkaji number：J1.497.532B

(2S,4S)-2-(tert-Butoxycarbonylamino)-4-[(R)-2-methoxy-2-phenyl-3,3,3-trifluoropropionylamino]glutaric acid 1-tert-butyl 5-methyl ester

(2S,4S)-2-(tert-ブトキシカルボニルアミノ)-4-[(R)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオニルアミノ]グルタル酸1-tert-ブチル5-メチル
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： C25H35F3N2O8
Molecular formula furigana： C25-H35-F3-N2-O8
Molecular weight： 548.556
InChI： InChI=1S/C25H35F3N2O8/c1-22(2,3)37-19(32)17(30-21(34)38-23(4,5)6)14-16(18(31)35-7)29-20(33)24(36-8,25(26,27)28)15-12-10-9-11-13-15/h9-13,16-17H,14H2,1-8H3,(H,29,33)(H,30,34)/t16-,17-,24+/m0/s1
InChI key： JKSHKDBPRUUHRY-WOGXIUBCSA-N
SMILES： COC(=O)[C@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)[C@](OC)(c1ccccc1)C(F)(F)F
Systematic name  (3)：
  • (2S,4S)-2-(tert-ブトキシカルボニルアミノ)-4-[(R)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオニルアミノ]グルタル酸1-tert-ブチル5-メチル
  • 1-tert-ブチル 5-メチル (2S,4S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-4-[(2R)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパンアミド]ペンタンジオアート
  • 1-tert-butyl 5-methyl (2S,4S)-2-{[(tert-butoxy)carbonyl]amino}-4-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamido]pentanedioate
Other name (1)：
  • (2S,4S)-2-(tert-Butoxycarbonylamino)-4-[(R)-2-methoxy-2-phenyl-3,3,3-trifluoropropionylamino]glutaric acid 1-tert-butyl 5-methyl ester
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