cIAP1 Ligand-Linker Conjugates 7 | E3 ligase Ligand-Linker Conjugates 44 | AnyMole

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HIT212667688

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HIT212667688

HIT ID:HIT212667688
Cas No:
常用名:cIAP1 Ligand-Linker Conjugates 7
常用名:cIAP1 Ligand-Linker Conjugates 7
别名:E3 ligase Ligand-Linker Conjugates 44
IUPAC:(9H-fluoren-9-yl)methyl N-[(1S)-1-{[(1S)-2-[(2S)-2-{[(1S)-1-[(2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2,2-diphenylethyl]carbamoyl}pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate
IUPAC:(9H-fluoren-9-yl)methyl N-[(1S)-1-{[(1S)-2-[(2S)-2-{[(1S)-1-[(2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2,2-diphenylethyl]carbamoyl}pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate
InChI key:IXEPIBNBKCHKHM-QKZVIGRASA-N

分子式:C55H70N6O9
分子量:959.198
氢键供体数 (HBD):4
氢键受体数 (HBA):9
LogP:5.3235035
SMILES:C[C@H](N(C)C(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCOCCOCCOCCN
SMILES:C[C@H](N(C)C(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCOCCOCCOCCN

cIAP1 Ligand-Linker Conjugates 7 is a chemical compound that combines an IAP ligand for the E3 ubiquitin ligase with a PROTAC linker. It is utilized in the design of SNIPERs[1].

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