Glucocorticoid receptor agonist-1-Gly-Glu-Gly
HIT218848105
sdf文件结构编辑类似物检索
HIT ID: HIT218848105
Cas No: 2913230-74-5
分子式: C46H56N4O12
分子量: 856.97
常用名: Glucocorticoid receptor agonist-1-Gly-Glu-Gly
常用名: Glucocorticoid receptor agonist-1-Gly-Glu-Gly
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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
InChI key: JBLMXRSSIJFWQE-KIUNJQCTSA-N
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