Name: Ro 09-1428
Rating: 5 (10 reviews)

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HIT ID:HIT214318658
Cas No:134452-47-4
常用名:Ro 09-1428
别名:Ro-09-1428
IUPAC:7-[2-(2-amino-1,3-thiazol-4-yl)-2-[({1-[(3,4-dihydroxyphenyl)formohydrazido]-2-methyl-1-oxopropan-2-yl}oxy)imino]acetamido]-3-({[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC:7-[2-(2-amino-1,3-thiazol-4-yl)-2-[({1-[(3,4-dihydroxyphenyl)formohydrazido]-2-methyl-1-oxopropan-2-yl}oxy)imino]acetamido]-3-({[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI key:CCOFMFVZORWSAE-UHFFFAOYSA-N

分子式:C31H31N11O10S3
分子量:813.84
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1cc(SCC2=C(N3C(SC2)C(NC(=O)C(=NOC(C)(C)C(=O)NNC(=O)c2ccc(O)c(O)c2)c2csc(N)n2)C3=O)C(O)=O)n2nc(CO)nc2n1 |w:17.18,t:6|
SMILES:Cc1cc(SCC2=C(N3C(SC2)C(NC(=O)C(=NOC(C)(C)C(=O)NNC(=O)c2ccc(O)c(O)c2)c2csc(N)n2)C3=O)C(O)=O)n2nc(CO)nc2n1 |w:17.18,t:6|

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