Name: Purpurin 18
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212661791
Cas No:25465-77-4
常用名:Purpurin 18
别名:红紫素 18
IUPAC:3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1^{6,9}.1^{11,14}.1^{16,19}.0^{2,7}]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoic acid
IUPAC:3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1^{6,9}.1^{11,14}.1^{16,19}.0^{2,7}]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoic acid
InChI key:KUFHJWJISCAHNP-QTSMLZQNSA-N

分子式:C33H32N4O5
分子量:564.642
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:6.0590343
SMILES:CCc1c(C)c2cc3nc(cc4[nH]c([C@@H](CCC(O)=O)[C@@H]4C)c4c5[nH]c(cc1n2)c(C)c5c(=O)oc4=O)c(C)c3C=C
SMILES:CCc1c(C)c2cc3nc(cc4[nH]c([C@@H](CCC(O)=O)[C@@H]4C)c4c5[nH]c(cc1n2)c(C)c5c(=O)oc4=O)c(C)c3C=C

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