Name: Boc-A 410099.1 amide-alkylC4-amine
Rating: 5 (10 reviews)

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HIT ID:HIT214323463
Cas No:2415256-18-5
常用名:Boc-A 410099.1 amide-alkylC4-amine
常用名:Boc-A 410099.1 amide-alkylC4-amine
别名:Boc-A 410099.1 amide-alkylC4-amine
IUPAC:tert-butyl N-[(1S)-1-{[(1S)-2-[(2S,4S)-4-(5-aminopentanamido)-2-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate
IUPAC:tert-butyl N-[(1S)-1-{[(1S)-2-[(2S,4S)-4-(5-aminopentanamido)-2-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate
InChI key:FWIMYXSVFVDWDD-GQKUPJEMSA-N

分子式:C37H58N6O6
分子量:682.907
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCCCN |@:15|
SMILES:C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCCCN |@:15|

Boc-A 410099.1 amide-alkylC4-amine is a functionalized IAP ligand for PROTACs, comprising of an IAP ligand and an amide-alkylC4 linker terminating in an amine group. It has the ability to form conjugates with target protein ligands.

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