(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one

• 常用名: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
• 英文名: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
• CAS号: 153244-86-1
• 分子量: 606.75200
• 密度: 1.268g/cm3
• 沸点: 819ºC at 760mmHg
• 分子式: C₄₁H₃₈N₂O₃
• 熔点: N/A
• 闪点: 449.1ºC

名称

• 英文名: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one

物理化学性质

• 密度: 1.268g/cm3
• 沸点: 819ºC at 760mmHg
• 分子式: C₄₁H₃₈N₂O₃
• 分子量: 606.75200
• 闪点: 449.1ºC
• 精确质量: 606.28800
• PSA: 64.01000
• LogP: 7.25100
• InChIKey: VUYPJDFAKYXJEV-WESAGZJESA-N
• SMILES: O=C1N(Cc2ccc3ccccc3c2)C(Cc2ccccc2)C(O)C(O)C(Cc2ccccc2)N1Cc1ccc2ccccc2c1
• 蒸汽压: 2.24E-28mmHg at 25°C
• 折射率: 1.705

靶点实验

查看更多实验

实验名称：Antiviral potency evaluated by measuring accumulation of viral RNA transcripts 3 days... 来源：ChEMBL 靶标：MT2 External Id：CHEMBL711378

实验名称：Affinity for HIV Protease 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL858358

实验名称：Experimentally measured binding affinity data (Ki) for protein-ligand complexes deriv... 来源：Shanghai Institute of Organic Chemistry 靶标：N/A External Id：PDBbind-Ki for protein-ligand complexes

实验名称：Protease Inhibition Assay from Article 10.1021/jm9602571: "Cyclic HIV protease inhibi... 来源：BindingDB 靶标：N/A External Id：BindingDB_285_1

实验名称：Inhibition of HIV-1 protease 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL763303

实验名称：Inhibitory activity against HIV protease 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL765171

实验名称：The antiviral potency (IC90) was assessed by measuring their effect on the accumulati... 来源：ChEMBL 靶标：Human immunodeficiency virus 1 External Id：CHEMBL711384

实验名称：Binding affinity for HIV-1 protease enzyme was measured by using fluorescent peptide ... 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL769060

实验名称：HIV Enzyme Data 来源：NIAID 靶标：N/A External Id：HIV Enzyme Data

实验名称：Inhibition of HIV1 protease 来源：ChEMBL 靶标：Protease External Id：CHEMBL1019229

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英文别名

• 2H-1,3-Diazepin-2-one,hexahydro-5,6-dihydroxy-1,3-bis(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-,(4R,5S,6S,7R)
• [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE
• 1hvr
• XK263
• XK2