Name: Mureidomycin E
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619436
Cas No:126049-02-3
常用名:Mureidomycin E
IUPAC:2-{[(1-{[1-({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl}carbamoyl)-2-[1-(8-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-methylformamido]propyl]carbamoyl}-3-(methylsulfanyl)propyl)carbamoyl]amino}-3-(3-hydroxyphenyl)propanoic acid
IUPAC:2-{[(1-{[1-({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl}carbamoyl)-2-[1-(8-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-methylformamido]propyl]carbamoyl}-3-(methylsulfanyl)propyl)carbamoyl]amino}-3-(3-hydroxyphenyl)propanoic acid
InChI key:InChIKey=RFAFKGRDICXXEY-UHFFFAOYSA-N

分子式:C39H48N8O12S
分子量:852.92
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCCC(NC(=O)NC(Cc1cccc(O)c1)C(O)=O)C(=O)NC(C(C)N(C)C(=O)C1Cc2cccc(O)c2CN1)C(=O)NC=C1CC(O)C(O1)n1ccc(=O)[nH]c1=O
SMILES:CSCCC(NC(=O)NC(Cc1cccc(O)c1)C(O)=O)C(=O)NC(C(C)N(C)C(=O)C1Cc2cccc(O)c2CN1)C(=O)NC=C1CC(O)C(O1)n1ccc(=O)[nH]c1=O

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