Name: Aldosterone-3-(O-carboxymethyl)oximino-(2-iodohistamine)
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318965
Cas No:87002-37-7
常用名:Aldosterone-3-(O-carboxymethyl)oximino-(2-iodohistamine)
常用名:Aldosterone-3-(O-carboxymethyl)oximino-(2-iodohistamine)
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
InChI key:JALDDFVSKIVSGM-KNFBJMETSA-N

分子式:C28H37IN4O6
分子量:650.531
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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|

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