Chem
J-GLOBAL ID:201507052235611292
Nikkaji number:J3.365.361A
GLPG-0974
4-[[[(2R)-1-(ベンゾ[b]チオフェン-3-イルカルボニル)-2-メチルアゼチジン-2-イル]カルボニル](3-クロロベンジル)アミノ]ブタン酸
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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:
C25 H25 ClN2 O4 S
Molecular formula furigana:
C25-H25-CL-N2-O4-S
Molecular weight:
485.000
InChI:
InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1
InChI key:
MPMKMQHJHDHPBE-RUZDIDTESA-N
SMILES:
C[C@@]1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(=O)O)Cc1cccc(Cl)c1
Systematic name (3):
4-[[[(2R)-1-(ベンゾ[b]チオフェン-3-イルカルボニル)-2-メチルアゼチジン-2-イル]カルボニル](3-クロロベンジル)アミノ]ブタン酸
4-{1-[(2R)-1-(1-ベンゾチオフェン-3-カルボニル)-2-メチルアゼチジン-2-イル]-N-[(3-クロロフェニル)メチル]ホルムアミド}ブタン酸
4-{1-[(2R)-1-(1-benzothiophene-3-carbonyl)-2-methylazetidin-2-yl]-N-[(3-chlorophenyl)methyl]formamido}butanoic acid
Other name (2):
4-[[[(2R)-1-(Benzo[b]thiophene-3-ylcarbonyl)-2-methylazetidine-2-yl]carbonyl](3-chlorobenzyl)amino]butanoic acid
GLPG-0974
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