Name: GLP-1R agonist 19
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848096
Cas No:2765065-09-4
常用名:GLP-1R agonist 19
IUPAC:(3S)-3-{[(1S)-2-(4'-{4-[4-(25-amino-2,5,8,11,14,17,20,23-octaoxapentacosan-1-yl)-1H-1,2,3-triazol-1-yl]butoxy}-2'-ethyl-[1,1'-biphenyl]-4-yl)-1-{[(1S)-1-carbamoyl-4-(3,5-dimethylphenyl)butyl]carbamoyl}ethyl]carbamoyl}-3-[(2S)-2-[(2S,3R)-2-[(2S)-3-(2-fluorophenyl)-2-[(2S,3R)-3-hydroxy-2-{2-[(2S)-2-(2-{[2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2,2-dimethylacetamido)-3-(1H-1,2,3,4-tetrazol-5-yl)propanamido]acetamido}butanamido]-2-methylpropanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]propanoic acid
IUPAC:(3S)-3-{[(1S)-2-(4'-{4-[4-(25-amino-2,5,8,11,14,17,20,23-octaoxapentacosan-1-yl)-1H-1,2,3-triazol-1-yl]butoxy}-2'-ethyl-[1,1'-biphenyl]-4-yl)-1-{[(1S)-1-carbamoyl-4-(3,5-dimethylphenyl)butyl]carbamoyl}ethyl]carbamoyl}-3-[(2S)-2-[(2S,3R)-2-[(2S)-3-(2-fluorophenyl)-2-[(2S,3R)-3-hydroxy-2-{2-[(2S)-2-(2-{[2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2,2-dimethylacetamido)-3-(1H-1,2,3,4-tetrazol-5-yl)propanamido]acetamido}butanamido]-2-methylpropanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]propanoic acid
InChI key:URZJTJFWQSLBQI-CQELQHIGSA-N

分子式:C94H136FN21O25
分子量:1979.242
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1cc(OCCCCn2cc(COCCOCCOCCOCCOCCOCCOCCOCCN)nn2)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2nnn[nH]2)NC(=O)C(C)(C)C(=O)NCCc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2cc(C)cc(C)c2)C(N)=O)cc1
SMILES:CCc1cc(OCCCCn2cc(COCCOCCOCCOCCOCCOCCOCCOCCN)nn2)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2nnn[nH]2)NC(=O)C(C)(C)C(=O)NCCc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2cc(C)cc(C)c2)C(N)=O)cc1

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