Name: Paldimycin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317700
Cas No:101411-71-6
常用名:Paldimycin B
别名:Antibiotic 273 A1-beta
IUPAC:5-{6-[(acetyloxy)methyl]-5-({3-[(2-carboxy-2-acetamidoethyl)sulfanyl]-2-({[(2-carboxy-2-acetamidoethyl)sulfanyl]methanethioyl}amino)butanoyl}oxy)-3-hydroxy-4-[(5-hydroxy-4-methoxy-6-methyl-5-{1-[(2-methylpropanoyl)oxy]ethyl}oxan-2-yl)oxy]oxan-2-yl}-2-amino-5-hydroxy-3,6-dioxocyclohex-1-ene-1-carboxylic acid
IUPAC:5-{6-[(acetyloxy)methyl]-5-({3-[(2-carboxy-2-acetamidoethyl)sulfanyl]-2-({[(2-carboxy-2-acetamidoethyl)sulfanyl]methanethioyl}amino)butanoyl}oxy)-3-hydroxy-4-[(5-hydroxy-4-methoxy-6-methyl-5-{1-[(2-methylpropanoyl)oxy]ethyl}oxan-2-yl)oxy]oxan-2-yl}-2-amino-5-hydroxy-3,6-dioxocyclohex-1-ene-1-carboxylic acid
InChI key:VBFMBQWGGZGDKY-UHFFFAOYSA-N

分子式:C43H62N4O23S3
分子量:1099.15
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC1CC(OC2C(O)C(OC(COC(C)=O)C2OC(=O)C(NC(=S)SCC(NC(C)=O)C(O)=O)C(C)SCC(NC(C)=O)C(O)=O)C2(O)CC(=O)C(N)=C(C(O)=O)C2=O)OC(C)C1(O)C(C)OC(=O)C(C)C |t:54|
SMILES:COC1CC(OC2C(O)C(OC(COC(C)=O)C2OC(=O)C(NC(=S)SCC(NC(C)=O)C(O)=O)C(C)SCC(NC(C)=O)C(O)=O)C2(O)CC(=O)C(N)=C(C(O)=O)C2=O)OC(C)C1(O)C(C)OC(=O)C(C)C |t:54|

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