Name: KL 465
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619534
Cas No:3057446-82-6
常用名:KL 465
IUPAC:(2S,4R)-N-[(2-{2-[2-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-4-(1H-indazol-4-yl)phenoxy)ethoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl)methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-N-[(2-{2-[2-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-4-(1H-indazol-4-yl)phenoxy)ethoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl)methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
InChI key:InChIKey=MQOTXOOWIOCPNH-IYCLWVRSSA-N

分子式:C56H60N8O9S
分子量:1021.2
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1OCCOCCOc1ccc(cc1CN1CCN(CC1)C(=O)c1ccco1)-c1cccc2[nH]ncc12)-c1scnc1C
SMILES:CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1OCCOCCOc1ccc(cc1CN1CCN(CC1)C(=O)c1ccco1)-c1cccc2[nH]ncc12)-c1scnc1C

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