K-Ras ligand-Linker Conjugate 1
HIT212667815
sdf文件结构编辑类似物检索
HIT ID: HIT212667815
Cas No:
分子式: C43H54N8O9
分子量: 826.952
常用名: K-Ras ligand-Linker Conjugate 1
氢键受体数 (HBA): 14
氢键供体数 (HBD): 1
LogP: 2.7878366
IUPAC: benzyl (2S)-2-(cyanomethyl)-4-(2-{[(2S,4R)-4-[2-(2-{2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]ethoxy}ethoxy)ethoxy]-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
IUPAC: benzyl (2S)-2-(cyanomethyl)-4-(2-{[(2S,4R)-4-[2-(2-{2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]ethoxy}ethoxy)ethoxy]-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILES: CN1C[C@@H](C[C@H]1COc1nc2CNCCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)OCc1ccccc1)OCCOCCOCCOCCN1C(=O)c2ccccc2C1=O
SMILES: CN1C[C@@H](C[C@H]1COc1nc2CNCCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)OCc1ccccc1)OCCOCCOCCOCCN1C(=O)c2ccccc2C1=O
InChI key: RLYCTEGJKCAPGP-DHWXLLNHSA-N
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