Dinklacorine
HIT212715822
sdf文件结构编辑类似物检索
HIT ID: HIT212715822
Cas No: 60579-86-4
分子式: C36H36N2O5
分子量: 576.693
常用名: Dinklacorine
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 6.1640196
IUPAC: (8S,21R)-13,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1^{4,30}.1^{10,14}.1^{15,19}.0^{3,8}.0^{25,33}.0^{28,32}]hexatriaconta-1(30),2,4(34),10(36),11,13,15(35),16,18,25(33),26,28(32)-dodecaen-16-ol
IUPAC: (8S,21R)-13,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1^{4,30}.1^{10,14}.1^{15,19}.0^{3,8}.0^{25,33}.0^{28,32}]hexatriaconta-1(30),2,4(34),10(36),11,13,15(35),16,18,25(33),26,28(32)-dodecaen-16-ol
SMILES: COc1ccc2C[C@@H]3N(C)CCc4cc5Oc6c(OC)cc7CCN(C)[C@H](Cc8ccc(O)c(c8)-c1c2)c7c6Oc5cc34
SMILES: COc1ccc2C[C@@H]3N(C)CCc4cc5Oc6c(OC)cc7CCN(C)[C@H](Cc8ccc(O)c(c8)-c1c2)c7c6Oc5cc34
InChI key: MMGBHVBJOIKWMF-WUFINQPMSA-N
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