Name: 25-Desacetylrifapentine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318618
Cas No:79039-56-8
常用名:25-Desacetylrifapentine
别名:L-14583, L14583
IUPAC:(7S,9Z,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{[(4-cyclopentylpiperazin-1-yl)imino]methyl}-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione
IUPAC:(7S,9Z,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{[(4-cyclopentylpiperazin-1-yl)imino]methyl}-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione
InChI key:LPUNEQQTZOWCNO-WBJCWORHSA-N

分子式:C45H62N4O11
分子量:835.008
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(O)c(C=NN4CCN(CC4)C4CCCC4)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](O)[C@@H]1C)c(O)c2c(O)c3C |w:17.17,c:3,38,40|
SMILES:CO[C@H]1\C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCN(CC4)C4CCCC4)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](O)[C@@H]1C)c(O)c2c(O)c3C |w:17.17,c:3,38,40|

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