Chem
J-GLOBAL ID:200907000991459421
Nikkaji number:J742.538D
(2S,3S)-2-[(Trifluoroacetyl)amino]-3-phenyl-2,3,4-trimethyl-4-pentenoic acid methyl ester
(2S,3S)-2-[(トリフルオロアセチル)アミノ]-3-フェニル-2,3,4-トリメチル-4-ペンテン酸メチル
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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:
C17 H20 F3 NO3
Molecular formula furigana:
C17-H20-F3-N-O3
Molecular weight:
343.346
InChI:
InChI=1S/C17H20F3NO3/c1-11(2)15(3,12-9-7-6-8-10-12)16(4,14(23)24-5)21-13(22)17(18,19)20/h6-10H,1H2,2-5H3,(H,21,22)/t15-,16+/m0/s1
InChI key:
ABLHNRYWSZHITK-JKSUJKDBSA-N
SMILES:
COC(=O)[C@@](C)(NC(=O)C(F)(F)F)[C@@](C)(C(=C)C)c1ccccc1
Systematic name (3):
(2S,3S)-2-[(トリフルオロアセチル)アミノ]-3-フェニル-2,3,4-トリメチル-4-ペンテン酸メチル
メチル (2S,3S)-2,3,4-トリメチル-3-フェニル-2-(2,2,2-トリフルオロアセトアミド)ペンタ-4-エノアート
methyl (2S,3S)-2,3,4-trimethyl-3-phenyl-2-(2,2,2-trifluoroacetamido)pent-4-enoate
Other name (1):
(2S,3S)-2-[(Trifluoroacetyl)amino]-3-phenyl-2,3,4-trimethyl-4-pentenoic acid methyl ester
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