Name: Glucocorticoid receptor agonist-1-Gly-Glu-Gly
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848105
Cas No:2913230-74-5
常用名:Glucocorticoid receptor agonist-1-Gly-Glu-Gly
常用名:Glucocorticoid receptor agonist-1-Gly-Glu-Gly
IUPAC:(4S)-4-(2-aminoacetamido)-4-({[({[4-({4-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-6-yl]phenyl}methyl)phenyl]methoxy}methyl)carbamoyl]methyl}carbamoyl)butanoic acid
IUPAC:(4S)-4-(2-aminoacetamido)-4-({[({[4-({4-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-6-yl]phenyl}methyl)phenyl]methoxy}methyl)carbamoyl]methyl}carbamoyl)butanoic acid
InChI key:JBLMXRSSIJFWQE-KIUNJQCTSA-N

分子式:C46H56N4O12
分子量:856.97
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)c1ccc(Cc2ccc(COCNC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CN)cc2)cc1)C(=O)CO
SMILES:[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)c1ccc(Cc2ccc(COCNC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CN)cc2)cc1)C(=O)CO

Glucocorticoid receptor agonist-1-Gly-Glu-Gly (compound 9E) 是一种类固醇-连接子偶联物，用于合成抗体-药物缀合物 (ADC)。

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