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

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结构编辑

类似物检索

HIT ID:HIT214322680
Cas No:1613552-03-6
常用名:A 410099.1, amine-Boc
IUPAC:tert-butyl N-[(1S)-1-{[(1S)-2-[(2S,4S)-4-amino-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-amino-2-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate
InChI key:MQXRDFRHLFKZNZ-JKGXFXTOSA-N

分子式:C32H49N5O5
分子量:583.774
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](N)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
SMILES:C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12

A-410099.1, also known as amine-Boc, serves as a functionalized IAP ligand instrumental in the synthesis of PROTACs, including those targeting BTK (specifically PROTACs 4 and 5).

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