Name: Ro 25-0534
Rating: 5 (10 reviews)

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HIT ID:HIT212712988
Cas No:143488-32-8
常用名:Ro 25-0534
别名:Ro-25-0534
IUPAC:7-(4-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[({1-[(3,4-dihydroxyphenyl)formohydrazido]-2-methyl-1-oxopropan-2-yl}oxy)imino]acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC:7-(4-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[({1-[(3,4-dihydroxyphenyl)formohydrazido]-2-methyl-1-oxopropan-2-yl}oxy)imino]acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
InChI key:IXDFVVUXTFRFQQ-MOSWNVLFSA-N

分子式:C41H41FN10O12S2
分子量:948.96
氢键供体数 (HBD):8
氢键受体数 (HBA):18
LogP:-1.0762755
SMILES:[H][C@]12SCC(CN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(=O)NNC(=O)c1ccc(O)c(O)c1)\c1csc(N)n1)C(O)=O |c:33|
SMILES:[H][C@]12SCC(CN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(=O)NNC(=O)c1ccc(O)c(O)c1)\c1csc(N)n1)C(O)=O |c:33|

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