基本情報
- CAS
1019112-29-8- 標準SMILES
CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12- InChIKey
FYRJJCYFYLLOSC-LXFBAYGMSA-N- 分子式
- C30H30ClFN2O3
- 平均分子量
- 521 g/mol
- 単同位体質量
- 520.1928987
概要
MK-3577 is under investigation in clinical trial NCT00868790 (A Study of the Safety and Efficacy of MK-3577 in Participants With Type 2 Diabetes Mellitus (MK-3577-009)).
名称と識別子
- 優先名称
- Mk-3577
- IUPAC
- 3-[[4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]benzoyl]amino]propanoic acid
- 英語名
- 3-(4-((1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl)benzamido)propanoicacid
- 分子式
- C30H30ClFN2O3
- 分子量
- 521.02
名称と別名
MK-35771019112-29-803TW1410NLUNII-03TW1410NLN-(4-((1S)-1-((R)-(4-Chlorophenyl)(7-fluoro-5-methyl-1H-indol-3-yl)methyl)butyl)benzoyl)-beta-alaninebeta-Alanine, N-(4-((1S)-1-((R)-(4-chlorophenyl)(7-fluoro-5-methyl-1H-indol-3-yl)methyl)butyl)benzoyl)-N-(4-((1S)-1-((R)-(4-Chlorophenyl)(7-fluoro-5-methyl-1H-indol-3-yl)methyl)butyl)benzoyl)-beta-alanine, (-)-.BETA.-ALANINE, N-(4-((1S)-1-((R)-(4-CHLOROPHENYL)(7-FLUORO-5-METHYL-1H-INDOL-3-YL)METHYL)BUTYL)BENZOYL)-beta-Alanine, N-[4-[(1S)-1-[(R)-(4-chlorophenyl)(7-fluoro-5-methyl-1H-indol-3-yl)methyl]butyl]benzoyl]-N-(4-((1S)-1-((R)-(4-CHLOROPHENYL)(7-FLUORO-5-METHYL-1H-INDOL-3-YL)METHYL)BUTYL)BENZOYL)-.BETA.-ALANINEN-(4-((1S)-1-((R)-(4-CHLOROPHENYL)(7-FLUORO-5-METHYL-1H-INDOL-3-YL)METHYL)BUTYL)BENZOYL)-.BETA.-ALANINE, (-)-3-((4-((1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl)phenyl)formamido)propanoic acid
名称をさらに表示
EOS-61943β-Alanine, N-[4-[(1S)-1-[(R)-(4-chlorophenyl)(7-fluoro-5-methyl-1H-indol-3-yl)methyl]butyl]benzoyl]-3-(4-((1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl)benzamido)propanoicacid
物性
構造計算による物性
- XLogP
- 7
- 極性表面積
- 82.2 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 10
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 753
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