Name: 4A3-Cit
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219586602
Cas No:2768211-13-6
常用名:4A3-Cit
IUPAC:2-[(3-{[3-({3-[bis({3-[2-({3-[(3,7-dimethyloct-6-en-1-yl)sulfanyl]-2-methylpropanoyl}oxy)ethoxy]-3-oxopropyl})amino]propyl}(methyl)amino)propyl]({3-[2-({3-[(3,7-dimethyloct-6-en-1-yl)sulfanyl]-2-methylpropanoyl}oxy)ethoxy]-3-oxopropyl})amino}propanoyl)oxy]ethyl 3-[(3,7-dimethyloct-6-en-1-yl)sulfanyl]-2-methylpropanoate
IUPAC:2-[(3-{[3-({3-[bis({3-[2-({3-[(3,7-dimethyloct-6-en-1-yl)sulfanyl]-2-methylpropanoyl}oxy)ethoxy]-3-oxopropyl})amino]propyl}(methyl)amino)propyl]({3-[2-({3-[(3,7-dimethyloct-6-en-1-yl)sulfanyl]-2-methylpropanoyl}oxy)ethoxy]-3-oxopropyl})amino}propanoyl)oxy]ethyl 3-[(3,7-dimethyloct-6-en-1-yl)sulfanyl]-2-methylpropanoate
InChI key:XXANPQWCWMNBPY-UHFFFAOYSA-N

分子式:C83H147N3O16S4
分子量:1571.33
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(CCSCC(C)C(=O)OCCOC(=O)CCN(CCCN(C)CCCN(CCC(=O)OCCOC(=O)C(C)CSCCC(C)CCC=C(C)C)CCC(=O)OCCOC(=O)C(C)CSCCC(C)CCC=C(C)C)CCC(=O)OCCOC(=O)C(C)CSCCC(C)CCC=C(C)C)CCC=C(C)C
SMILES:CC(CCSCC(C)C(=O)OCCOC(=O)CCN(CCCN(C)CCCN(CCC(=O)OCCOC(=O)C(C)CSCCC(C)CCC=C(C)C)CCC(=O)OCCOC(=O)C(C)CSCCC(C)CCC=C(C)C)CCC(=O)OCCOC(=O)C(C)CSCCC(C)CCC=C(C)C)CCC=C(C)C

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