Name: Aminooxy CatB-LXR
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583686
Cas No:1779524-93-4
常用名:Aminooxy CatB-LXR
IUPAC:N-[(1S)-1-{[(1S)-5-amino-1-{[2-(N-methyl3-{3-[3-ethyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy}benzenesulfonamido)ethyl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]-14-(aminooxy)-3,6,9,12-tetraoxatetradecanamide
IUPAC:N-[(1S)-1-{[(1S)-5-amino-1-{[2-(N-methyl3-{3-[3-ethyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy}benzenesulfonamido)ethyl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]-14-(aminooxy)-3,6,9,12-tetraoxatetradecanamide
InChI key:VQJYQMCPVXXZCX-ZYBCLOSLSA-N

分子式:C52H66F3N7O11S
分子量:1054.19
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(=O)(=O)N(C)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)COCCOCCOCCOCCON)c1)C(F)(F)F
SMILES:CCc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(=O)(=O)N(C)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)COCCOCCOCCOCCON)c1)C(F)(F)F

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