Chem
J-GLOBAL ID:201707001469907693
Nikkaji number:J3.595.039G
AZD-8165
プロパン酸(1R)-1-(4-フルオロフェニル)-2-[(5S)-5-[[2-(1H-テトラゾール-1-イル)-5-クロロベンジル]カルバモイル]-4,5-ジヒドロ-1H-ピラゾール-1-イル]-2-オキソエチル
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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:
C23 H21 ClFN7 O4
Molecular formula furigana:
C23-H21-CL-F-N7-O4
Molecular weight:
513.909
InChI:
InChI=1S/C23H21ClFN7O4/c1-2-20(33)36-21(14-3-6-17(25)7-4-14)23(35)32-19(9-10-28-32)22(34)26-12-15-11-16(24)5-8-18(15)31-13-27-29-30-31/h3-8,10-11,13,19,21H,2,9,12H2,1H3,(H,26,34)/t19-,21+/m0/s1
InChI key:
YUHNXUAATAMVKD-PZJWPPBQSA-N
SMILES:
CCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1n1cnnn1)c1ccc(F)cc1
Systematic name (3):
プロパン酸(1R)-1-(4-フルオロフェニル)-2-[(5S)-5-[[2-(1H-テトラゾール-1-イル)-5-クロロベンジル]カルバモイル]-4,5-ジヒドロ-1H-ピラゾール-1-イル]-2-オキソエチル
(1R)-2-[(5S)-5-({[5-クロロ-2-(1H-1,2,3,4-テトラゾール-1-イル)フェニル]メチル}カルバモイル)-4,5-ジヒドロ-1H-ピラゾール-1-イル]-1-(4-フルオロフェニル)-2-オキソエチル プロパノアート
(1R)-2-[(5S)-5-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}carbamoyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-(4-fluorophenyl)-2-oxoethyl propanoate
Other name (2):
Propanoic acid (1R)-1-(4-fluorophenyl)-2-[(5S)-5-[[2-(1H-tetrazole-1-yl)-5-chlorobenzyl]carbamoyl]-4,5-dihydro-1H-pyrazole-1-yl]-2-oxoethyl ester
AZD-8165
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