Name: dmDNA31
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667113
Cas No:845625-44-7
常用名:dmDNA31
IUPAC:(7S,11R,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-30-[4-(dimethylamino)piperidin-1-yl]-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.1^{4,7}.0^{5,36}.0^{26,35}.0^{28,33}]octatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-13-yl acetate
IUPAC:(7S,11R,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-30-[4-(dimethylamino)piperidin-1-yl]-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.1^{4,7}.0^{5,36}.0^{26,35}.0^{28,33}]octatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-13-yl acetate
InChI key:BFIVOHQEVXPDPI-FVURRPDLSA-N

分子式:C50H62N4O13
分子量:927.061
氢键供体数 (HBD):5
氢键受体数 (HBA):15
LogP:3.3950903
SMILES:[H][C@]1(OC)\C=C/O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(O)cc(cc5oc4c(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)c(=O)c2c(O)c3C)N1CCC(CC1)N(C)C |c:4,34,36|
SMILES:[H][C@]1(OC)\C=C/O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(O)cc(cc5oc4c(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)c(=O)c2c(O)c3C)N1CCC(CC1)N(C)C |c:4,34,36|

dmDNA31 is a rifamycin antibiotic that can inhibit the DNA-dependent RNA polymerase of bacteria and has strong bactericidal activity against Staphylococcus aureus.

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