Name: Neoechinulin D
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT106475081
Cas No:57765-86-3
常用名:Neoechinulin D
IUPAC:(3S,6Z)-3-methyl-6-{[6-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}piperazine-2,5-dione
IUPAC:(3S,6Z)-3-methyl-6-{[6-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}piperazine-2,5-dione
InChI key:YCCLECFRSYOPML-HYTQYMIGSA-N

分子式:C24H29N3O2
分子量:391.515
氢键供体数 (HBD):3
氢键受体数 (HBA):2
LogP:3.919
SMILES:C[C@@H]1NC(=O)\C(NC1=O)=C\c1c([nH]c2cc(CC=C(C)C)ccc12)C(C)(C)C=C |wU:1.0,(3.38,5.99,;2.35,4.84,;.84,5.16,;-.19,4.02,;-1.7,4.34,;.29,2.55,;1.79,2.23,;2.82,3.38,;4.33,3.06,;-.74,1.41,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;2.53,-4.38,;3.86,-6.69,;3.86,-.53,;2.53,.24,;1.2,-.53,;-2.71,-1.3,;-2.71,-2.84,;-2.71,.24,;-4.25,-1.3,;-5.02,.03,)|
SMILES:C[C@@H]1NC(=O)\C(NC1=O)=C\c1c([nH]c2cc(CC=C(C)C)ccc12)C(C)(C)C=C |wU:1.0,(3.38,5.99,;2.35,4.84,;.84,5.16,;-.19,4.02,;-1.7,4.34,;.29,2.55,;1.79,2.23,;2.82,3.38,;4.33,3.06,;-.74,1.41,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;2.53,-4.38,;3.86,-6.69,;3.86,-.53,;2.53,.24,;1.2,-.53,;-2.71,-1.3,;-2.71,-2.84,;-2.71,.24,;-4.25,-1.3,;-5.02,.03,)|

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