Name: cIAP1 Ligand-Linker Conjugates 3
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HIT ID:HIT212667684
Cas No:2222354-20-1
常用名:cIAP1 Ligand-Linker Conjugates 3
常用名:cIAP1 Ligand-Linker Conjugates 3
别名:E3 ligase Ligand-Linker Conjugates 40
IUPAC:2-(2-{2-[2-(3-{2-[(2S)-1-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}propanamido]-2-cyclohexylacetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl}phenoxy)ethoxy]ethoxy}ethoxy)acetic acid
IUPAC:2-(2-{2-[2-(3-{2-[(2S)-1-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}propanamido]-2-cyclohexylacetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl}phenoxy)ethoxy]ethoxy}ethoxy)acetic acid
InChI key:WAPVQKADLXUREQ-CTVJOPNHSA-N

分子式:C39H56N4O11S
分子量:788.95
氢键供体数 (HBD):2
氢键受体数 (HBA):11
LogP:4.097203
SMILES:C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCOCC(O)=O)c1
SMILES:C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCOCC(O)=O)c1

cIAP1 Ligand-Linker Conjugates 3 are chemical compounds comprising an IAP ligand designed specifically for the E3 ubiquitin ligase and a PROTAC linker. These conjugates, denoted as cIAP1 Ligand-Linker Conjugates 3, find utility in the design of SNIPERs, short for Specific and Non-genetic IAP-dependent Protein Erasers [1].

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