Name: Pristinamycin IA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212523564
Cas No:3131-03-1;3131/3/1
常用名:Pristinamycin IA
别名:普利霉素IA, Mikamycin IA, Mikamycin B
IUPAC:N-(3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide
IUPAC:N-(3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide
InChI key:YGXCETJZBDTKRY-UHFFFAOYSA-N

分子式:C45H54N8O10
分子量:866.973
氢键供体数 (HBD):4
氢键受体数 (HBA):11
LogP:1.961
SMILES:CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccc(cc2)N(C)C)N(C)C(=O)C2CCCN2C1=O)c1ccccc1
SMILES:CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccc(cc2)N(C)C)N(C)C(=O)C2CCCN2C1=O)c1ccccc1

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