methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[methyl-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate

• 常用名: methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[methyl-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
• 英文名: methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[methyl-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
• CAS号: 1415033-91-8
• 分子量: 1041.2
• 密度: N/A
• 沸点: N/A
• 分子式: C₅₅H₇₆N₈O₁₂
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[methyl-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate

物理化学性质

• 分子式: C₅₅H₇₆N₈O₁₂
• 分子量: 1041.2
• InChIKey: NXDIWJUYMKBICN-QDBLDGTHSA-N
• SMILES: C[C@@H](C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)N)N(C)C(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)O

靶点实验

查看更多实验

实验名称：Inhibition of BACE1 by fluorescence assay 来源：ChEMBL 靶标：Beta-secretase 1 External Id：CHEMBL2185514

实验名称：Inhibition of BACE1 expressed in human H4 cells assessed as reduction in sAPPbeta lev... 来源：ChEMBL 靶标：Beta-secretase 1 External Id：CHEMBL2185507

实验名称：Inhibition of cathepsin E by fluorescence assay 来源：ChEMBL 靶标：Cathepsin E External Id：CHEMBL2185512

实验名称：Inhibition of cathepsin D by fluorescence assay 来源：ChEMBL 靶标：Cathepsin D External Id：CHEMBL2185513

实验名称：Selectivity index, ratio of IC50 for cathepsin D to IC50 for cathepsin E 来源：ChEMBL 靶标：N/A External Id：CHEMBL2185511

实验名称：Inhibition of gamma secretase expressed in human H4 cells expressing BRI-C99 fusion p... 来源：ChEMBL 靶标：Gamma-secretase subunit APH-1B External Id：CHEMBL2185504

实验名称：Antiproliferative activity against human MDA-MB-231 cells assessed as reduction in ce... 来源：ChEMBL 靶标：MDA-MB-231 External Id：CHEMBL5158472

实验名称：Inhibition of BACE1 (unknown origin) after 90 mins by fluorescence assay 来源：ChEMBL 靶标：Beta-secretase 1 External Id：CHEMBL3406368

实验名称：Antiproliferative activity against human A549 cells assessed as reduction in cell via... 来源：ChEMBL 靶标：A549 External Id：CHEMBL5158469

实验名称：Inhibition of BACE1 (unknown origin) using Mca-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Ar... 来源：ChEMBL 靶标：Beta-secretase 1 External Id：CHEMBL5158468

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