Chem
J-GLOBAL ID:200907050628000074   Nikkaji number:J1.790.840E

[2-(4-Fluorobenzylthio)-4-oxo-5-(1-methyl-1H-pyrazole-4-ylmethyl)-1,4-dihydropyrimidine-1-ylacetyl[4′-(trifluoromethyl)-4-biphenylylmethyl]amino]acetic acid

[2-(4-フルオロベンジルチオ)-4-オキソ-5-(1-メチル-1H-ピラゾール-4-イルメチル)-1,4-ジヒドロピリミジン-1-イルアセチル[4′-(トリフルオロメチル)-4-ビフェニリルメチル]アミノ]酢酸
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: C34H29F4N5O4S
Molecular formula furigana: C34-H29-F4-N5-O4-S
Molecular weight: 679.690
InChI: InChI=1S/C34H29F4N5O4S/c1-41-16-24(15-39-41)14-27-18-43(33(40-32(27)47)48-21-23-4-12-29(35)13-5-23)19-30(44)42(20-31(45)46)17-22-2-6-25(7-3-22)26-8-10-28(11-9-26)34(36,37)38/h2-13,15-16,18H,14,17,19-21H2,1H3,(H,45,46)
InChI key: SBMHFUHIBLNLAR-UHFFFAOYSA-N
SMILES: Cn1cc(Cc2cn(CC(=O)N(CC(=O)O)Cc3ccc(cc3)c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1
Systematic name  (3):
  • [2-(4-フルオロベンジルチオ)-4-オキソ-5-(1-メチル-1H-ピラゾール-4-イルメチル)-1,4-ジヒドロピリミジン-1-イルアセチル[4′-(トリフルオロメチル)-4-ビフェニリルメチル]アミノ]酢酸
  • 2-[2-(2-{[(4-フルオロフェニル)メチル]スルファニル}-5-[(1-メチル-1H-ピラゾール-4-イル)メチル]-4-オキソ-1,4-ジヒドロピリミジン-1-イル)-N-{[4'-(トリフルオロメチル)-[1,1'-ビフェニル]-4-イル]メチル}アセトアミド]酢酸
  • 2-[2-(2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydropyrimidin-1-yl)-N-{[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl}acetamido]acetic acid
Other name (1):
  • [2-(4-Fluorobenzylthio)-4-oxo-5-(1-methyl-1H-pyrazole-4-ylmethyl)-1,4-dihydropyrimidine-1-ylacetyl[4′-(trifluoromethyl)-4-biphenylylmethyl]amino]acetic acid
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