(2R)-N-[(4S)-2-[3-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]amino]-3-oxopropyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]pentanamide

• 常用名: (2R)-N-[(4S)-2-[3-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]amino]-3-oxopropyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]pentanamide
• 英文名: (2R)-N-[(4S)-2-[3-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]amino]-3-oxopropyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]pentanamide
• CAS号: 2376306-14-6
• 分子量: 1056.3
• 密度: N/A
• 沸点: N/A
• 分子式: C₅₇H₇₇N₁₃O₇
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (2R)-N-[(4S)-2-[3-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]amino]-3-oxopropyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]pentanamide

物理化学性质

• 分子式: C₅₇H₇₇N₁₃O₇
• 分子量: 1056.3
• InChIKey: KQAFSYXROGCRFB-LKZWIQFFSA-N
• SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H]2CC3=CC=CC=C3CN(C2=O)CCC(=O)N[C@@H](CCCN4CCC(CC4)CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N)N=C(N)N)C)O

靶点实验

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实验名称：Toxicity in C57BL/6N mouse assessed as induction of respiratory depression by measuri... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5510030

实验名称：Induction of motor coordination impairment in C57BL/6 mouse at 12 mg/kg, sc by rotaro... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5510026

实验名称：Induction of naltrexone-precipitated withdrawal syndrome in sc dosed C57BL/6N mouse a... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5510025

实验名称：Induction of naltrexone-precipitated withdrawal syndrome in sc dosed C57BL/6N mouse a... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5510024

实验名称：Induction of naltrexone-precipitated withdrawal syndrome in sc dosed C57BL/6N mouse a... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5510023

实验名称：Antinociceptive activity in mouse at 4.2 umol/kg, sc administered daily and measured ... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL5510020

实验名称：Antinociceptive activity in mouse at 4.2 umol/kg, sc administered chronically and mea... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL5510019

实验名称：Antinociceptive activity in mouse at 4.2 umol/kg, sc administered chronically and mea... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL5510018

实验名称：Antinociceptive activity in mouse at 2.5 to 10 mg/kg, sc measured after 6 hrs by tail... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL5510012

实验名称：Drug concentration in mouse brain at 10 mg/kg, sc measured after 2 hrs by LC-MS/MS an... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5510009

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