Name: Compound N066-0066
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT211512985
Cas No:
常用名:Compound N066-0066
IUPAC:methyl (5aR,5bR,10E,11aR)-10-[(carbamothioylamino)methylidene]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
IUPAC:methyl (5aR,5bR,10E,11aR)-10-[(carbamothioylamino)methylidene]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
InChI key:MOWARHWKOOUHNL-YGCHVJIVSA-N

分子式:C33H50N2O3S
分子量:554.83
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:6.534
SMILES:COC(=O)C12CCC(C1C1CCC3[C@@]4(C)C\C(=C/NC(N)=S)C(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |@:24|
SMILES:COC(=O)C12CCC(C1C1CCC3[C@@]4(C)C\C(=C/NC(N)=S)C(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |@:24|

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