Name: JLB2-110c
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848366
Cas No:3032608-72-0
常用名:JLB2-110c
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-({4-[(3R,9S,12S,15S,18S,21R,24S)-12-(aminomethyl)-21-benzyl-18-(3-carbamimidamidopropyl)-24-[(1H-imidazol-5-yl)methyl]-15-[(1H-indol-3-yl)methyl]-2,8,11,14,17,20,23,26-octaoxo-1,7,10,13,16,19,22,25-octaazatricyclo[25.3.0.0^{3,7}]triacontan-9-yl]butyl}carbamoyl)-4-carbamimidamidobutyl]carbamoyl}-4-carbamimidamidobutyl]-5-carbamimidamido-2-acetamidopentanamide
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-({4-[(3R,9S,12S,15S,18S,21R,24S)-12-(aminomethyl)-21-benzyl-18-(3-carbamimidamidopropyl)-24-[(1H-imidazol-5-yl)methyl]-15-[(1H-indol-3-yl)methyl]-2,8,11,14,17,20,23,26-octaoxo-1,7,10,13,16,19,22,25-octaazatricyclo[25.3.0.0^{3,7}]triacontan-9-yl]butyl}carbamoyl)-4-carbamimidamidobutyl]carbamoyl}-4-carbamimidamidobutyl]-5-carbamimidamido-2-acetamidopentanamide
InChI key:ZSSMANYLNGBKPJ-XOCSIPIQSA-N

分子式:C71H108N28O12
分子量:1545.829
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CCCN1C(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCN1C2=O
SMILES:[H][C@]12CCCN1C(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCN1C2=O

JLB2-110c activates the MCRs receptor (mMC4R EC 50 = 0.34 nM) and exhibits a potent in vivo appetite suppressant effect [1].

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