Chem
J-GLOBAL ID：200907048253765286   Nikkaji number：J1.383.639F

(6S)-1-[[(1R,3S)-3-(4-Phenyl-4-cyanopiperidino)cyclopentane-1-yl]carbamoyl]-2-oxo-4-(methoxymethyl)-6α-(3,4-difluorophenyl)-1,2,3,6-tetrahydropyrimidine-5-carboxylic acid methyl ester

(6S)-1-[[(1R,3S)-3-(4-フェニル-4-シアノピペリジノ)シクロペンタン-1-イル]カルバモイル]-2-オキソ-4-(メトキシメチル)-6α-(3,4-ジフルオロフェニル)-1,2,3,6-テトラヒドロピリミジン-5-カルボン酸メチル
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： C32H35F2N5O5
Molecular formula furigana： C32-H35-F2-N5-O5
Molecular weight： 607.659
InChI： InChI=1S/C32H35F2N5O5/c1-43-18-26-27(29(40)44-2)28(20-8-11-24(33)25(34)16-20)39(31(42)37-26)30(41)36-22-9-10-23(17-22)38-14-12-32(19-35,13-15-38)21-6-4-3-5-7-21/h3-8,11,16,22-23,28H,9-10,12-15,17-18H2,1-2H3,(H,36,41)(H,37,42)/t22-,23+,28+/m1/s1
InChI key： UMVYPFAJDLQOIO-IWHLBADBSA-N
SMILES： COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC
Systematic name  (3)：
  • (6S)-1-[[(1R,3S)-3-(4-フェニル-4-シアノピペリジノ)シクロペンタン-1-イル]カルバモイル]-2-オキソ-4-(メトキシメチル)-6α-(3,4-ジフルオロフェニル)-1,2,3,6-テトラヒドロピリミジン-5-カルボン酸メチル
  • メチル (4S)-3-{[(1R,3S)-3-(4-シアノ-4-フェニルピペリジン-1-イル)シクロペンチル]カルバモイル}-4-(3,4-ジフルオロフェニル)-6-(メトキシメチル)-2-オキソ-1,2,3,4-テトラヒドロピリミジン-5-カルボキシラート
  • methyl (4S)-3-{[(1R,3S)-3-(4-cyano-4-phenylpiperidin-1-yl)cyclopentyl]carbamoyl}-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Other name (1)：
  • (6S)-1-[[(1R,3S)-3-(4-Phenyl-4-cyanopiperidino)cyclopentane-1-yl]carbamoyl]-2-oxo-4-(methoxymethyl)-6α-(3,4-difluorophenyl)-1,2,3,6-tetrahydropyrimidine-5-carboxylic acid methyl ester
Thsaurus map：
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