分析物名称

Piperacillin Impurity 4

分子式

C41 H48 N8 O10 S2

分子量

876.997

精确质量测定

876.293

SMILES

CCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]3N4[C@H](SC3(C)C)[C@H](NC(=O)[C@H](NC(=O)N5CCN(CC)C(=O)C5=O)c6ccccc6)C4=O)c7ccccc7)C2=O

InChI

InChI=1S/C41H48N8O10S2/c1-7-46-19-20-47(35(56)34(46)55)39(58)45-24(22-17-13-10-14-18-22)30(51)44-25-32(53)48-27(40(3,4)60-36(25)48)31(52)42-23(21-15-11-9-12-16-21)29(50)43-26-33(54)49-28(38(57)59-8-2)41(5,6)61-37(26)49/h9-18,23-28,36-37H,7-8,19-20H2,1-6H3,(H,42,52)(H,43,50)(H,44,51)(H,45,58)/t23-,24-,25-,26-,27+,28+,36-,37-/m1/s1

IUPAC

ethyl (2S,5R,6R)-6-[[(2R)-2-[[(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

运输温度

Room Temperature

原产国

CANADA

产品类型

Impurity

产品形式

Neat