Chem
J-GLOBAL ID：200907006740712185   Nikkaji number：J1.775.303G

(3R)-2-(Methoxycarbonyl)-3-methyl-5-[[(2S)-2-(methoxymethyl)pyrrolizino]imino]-6,6,6-trifluorohexanoic acid methyl ester

(3R)-2-(メトキシカルボニル)-3-メチル-5-[[(2S)-2-(メトキシメチル)ピロリジノ]イミノ]-6,6,6-トリフルオロヘキサン酸メチル
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： C16H25F3N2O5
Molecular formula furigana： C16-H25-F3-N2-O5
Molecular weight： 382.380
InChI： InChI=1S/C16H25F3N2O5/c1-10(13(14(22)25-3)15(23)26-4)8-12(16(17,18)19)20-21-7-5-6-11(21)9-24-2/h10-11,13H,5-9H2,1-4H3/t10-,11+/m1/s1
InChI key： CWCOTOZWKJMJNO-MNOVXSKESA-N
SMILES： COC[C@@H]1CCCN1N=C(C[C@@H](C)C(C(=O)OC)C(=O)OC)C(F)(F)F
Systematic name  (3)：
  • (3R)-2-(メトキシカルボニル)-3-メチル-5-[[(2S)-2-(メトキシメチル)ピロリジノ]イミノ]-6,6,6-トリフルオロヘキサン酸メチル
  • 1,3-ジメチル 2-[(2R)-5,5,5-トリフルオロ-4-{[(2S)-2-(メトキシメチル)ピロリジン-1-イル]イミノ}ペンタン-2-イル]プロパンジオアート
  • 1,3-dimethyl 2-[(2R)-5,5,5-trifluoro-4-{[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino}pentan-2-yl]propanedioate
Other name (1)：
  • (3R)-2-(Methoxycarbonyl)-3-methyl-5-[[(2S)-2-(methoxymethyl)pyrrolizino]imino]-6,6,6-trifluorohexanoic acid methyl ester
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