Aldosterone-3-(O-carboxymethyl)oximino-(2-iodohistamine)
HIT214318965
sdf文件结构编辑类似物检索
HIT ID: HIT214318965
Cas No: 87002-37-7
分子式: C28H37IN4O6
分子量: 650.531
常用名: Aldosterone-3-(O-carboxymethyl)oximino-(2-iodohistamine)
常用名: Aldosterone-3-(O-carboxymethyl)oximino-(2-iodohistamine)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-({[(1S,3aS,3bS,9aR,9bS,10S,11aR)-11a-formyl-10-hydroxy-1-(2-hydroxyacetyl)-9a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ylidene]amino}oxy)-N-{2-[4-(125I)iodo-1H-imidazol-5-yl]ethyl}acetamide
IUPAC: 2-({[(1S,3aS,3bS,9aR,9bS,10S,11aR)-11a-formyl-10-hydroxy-1-(2-hydroxyacetyl)-9a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ylidene]amino}oxy)-N-{2-[4-(125I)iodo-1H-imidazol-5-yl]ethyl}acetamide
SMILES: [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(CC[C@]12C)=NOCC(=O)NCCc1[nH]cnc1[125I])C=O |w:26.30,t:21|
SMILES: [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(CC[C@]12C)=NOCC(=O)NCCc1[nH]cnc1[125I])C=O |w:26.30,t:21|
InChI key: JALDDFVSKIVSGM-KNFBJMETSA-N
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