Name: (4,5-dimethoxy-2-nitrophenyl)methyl N-(4-amino-5-{[4-(3-{3-[(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethyl)carbamoyl]propanamido}propoxy)-3,5-dimethoxyphenyl]methyl}pyrimidin-2-yl)carbamate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583283
Cas No:2137894-98-3
常用名:(4,5-dimethoxy-2-nitrophenyl)methyl N-(4-amino-5-{[4-(3-{3-[(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethyl)carbamoyl]propanamido}propoxy)-3,5-dimethoxyphenyl]methyl}pyrimidin-2-yl)carbamate
常用名:(4,5-dimethoxy-2-nitrophenyl)methyl N-(4-amino-5-{[4-(3-{3-[(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethyl)carbamoyl]propanamido}propoxy)-3,5-dimethoxyphenyl]methyl}pyrimidin-2-yl)carbamate
IUPAC:(4,5-dimethoxy-2-nitrophenyl)methyl N-(4-amino-5-{[4-(3-{3-[(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethyl)carbamoyl]propanamido}propoxy)-3,5-dimethoxyphenyl]methyl}pyrimidin-2-yl)carbamate
IUPAC:(4,5-dimethoxy-2-nitrophenyl)methyl N-(4-amino-5-{[4-(3-{3-[(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethyl)carbamoyl]propanamido}propoxy)-3,5-dimethoxyphenyl]methyl}pyrimidin-2-yl)carbamate
InChI key:DUNVDVWPSITHRB-UHFFFAOYSA-N

分子式:C40H56ClN7O13
分子量:878.37
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(COC(=O)Nc2ncc(Cc3cc(OC)c(OCCCNC(=O)CCC(=O)NCCOCCOCCCCCCCl)c(OC)c3)c(N)n2)c(cc1OC)N(=O)=O
SMILES:COc1cc(COC(=O)Nc2ncc(Cc3cc(OC)c(OCCCNC(=O)CCC(=O)NCCOCCOCCCCCCCl)c(OC)c3)c(N)n2)c(cc1OC)N(=O)=O

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