Name: Pentagastrin meglumine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320041
Cas No:57448-84-7
常用名:Pentagastrin meglumine
IUPAC:(2R,3R,4S,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; (3S)-3-[(2S)-2-[(2S)-2-(3-{[(tert-butoxy)carbonyl]amino}propanamido)-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
IUPAC:(2R,3R,4S,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; (3S)-3-[(2S)-2-[(2S)-2-(3-{[(tert-butoxy)carbonyl]amino}propanamido)-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
InChI key:CLQJDCJPAPUNET-GVSUCCOWSA-N

分子式:C44H66N8O14S
分子量:963.11
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES:CNC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

Pentagastrin meglumine is a synthetic pentapeptide that has effects like gastrin when given parenterally.

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