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名称

N-((R)-3-(Benzo[b]thiophen-3-yl)-1-(((R)-1-(((S)-1-((4-carbamoylpiperidin-4-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)piperidine-4-carboxamide, 胃泌素受体激动剂

分子类型

小分子

别名

N-((R)-3-(苯并[b]噻吩-3-基)-1-(((R)-1-(((S)-1-((4-氨基甲酰基哌啶-4-基)氨基)-1-氧代-3-苯基丙-2-基)氨基)-3-(1H-吲哚-3-基)-1-氧代丙-2-基)氨基)-1-氧代丙-2-基)哌啶-4-甲酰胺

英文别名

英文名称

货号

N671180-1mg

包装规格

1mg

分子式

C43H50N8O5S

分子量

791 g/mol

PubChem编号

44251769

Isomeric SMILES

C1CNCCC1C(=O)N[C@H](CC2=CSC3=CC=CC=C32)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)NC7(CCNCC7)C(=O)N

IIUPAC Name

4-[[(2S)-2-[[(2R)-2-[[(2R)-3-(1-benzothiophen-3-yl)-2-(piperidine-4-carbonylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]piperidine-4-carboxamide

INCHI

1S/C43H50N8O5S/c44-42(56)43(16-20-46-21-17-43)51-41(55)34(22-27-8-2-1-3-9-27)49-39(53)35(23-29-25-47-33-12-6-4-10-31(29)33)50-40(54)36(48-38(52)28-14-18-45-19-15-28)24-30-26-57-37-13-7-5-11-32(30)37/h1-13,25-26,28,34-36,45-47H,14-24H2,(H2,44,56)(H,4

InChi Key

KUBPNVYPKPWGRJ-LIVOIKKVSA-N

Smiles

C1CNCCC1C(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CC6=CC=CC=C6)C(=O)NC7(CCNCC7)C(=O)N

PubChem CID

44251769

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

790.362 Da

单同位素质量Monoisotopic Mass

790.362 Da

拓扑极表面积Topological Polar Surface Area

228.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

1400.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.600

ALogP

3.6

作用类型

激动剂

作用机制

胃泌素受体激动剂

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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