Name: Rifasutenizol
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219136395
Cas No:1001314-13-1
常用名:Rifasutenizol
IUPAC:(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-6,23-dioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4'-piperidine]-1,3,5(31),9,19,21,25(32),26,29-nonaen-13-yl acetate
IUPAC:(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-6,23-dioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4'-piperidine]-1,3,5(31),9,19,21,25(32),26,29-nonaen-13-yl acetate
InChI key:OZUTUJQHZGJOKZ-LXEKTRJUSA-N

分子式:C48H61N7O13
分子量:944.052
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@H]1\C=C/O[C@@]2(C)Oc3c(C2=O)c2c(c(O)c3C)c(O)c(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c1=NC3(CCN(CCn4c(C)ncc4[N+]([O-])=O)CC3)N=c21
SMILES:CO[C@H]1\C=C/O[C@@]2(C)Oc3c(C2=O)c2c(c(O)c3C)c(O)c(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c1=NC3(CCN(CCn4c(C)ncc4[N+]([O-])=O)CC3)N=c21

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