Name: Etrasimod arginine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212716043
Cas No:1206123-97-8
常用名:Etrasimod arginine
别名:APD334 L-Arginine
IUPAC:(2R)-2-amino-5-carbamimidamidopentanoic acid; 2-[(3R)-7-{[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy}-1H,2H,3H,4H-cyclopenta[b]indol-3-yl]acetic acid
IUPAC:(2R)-2-amino-5-carbamimidamidopentanoic acid; 2-[(3R)-7-{[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy}-1H,2H,3H,4H-cyclopenta[b]indol-3-yl]acetic acid
InChI key:GVPVVOSNDUAUKM-BPGOJFKZSA-N

分子式:C32H40F3N5O5
分子量:631.697
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:6.448158
SMILES:[H][C@](N)(CCCNC(N)=N)C(O)=O.[H][C@]1(CC(O)=O)CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
SMILES:[H][C@](N)(CCCNC(N)=N)C(O)=O.[H][C@]1(CC(O)=O)CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21

Etrasimod arginine is used in the Treatment of Autoimmune and Inflammatory Diseases.

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