Ertapenem N-tert-Butyloxycarbonyl 4-Nitrophenyl Methyl Ester

分析物名称

Ertapenem N-tert-Butyloxycarbonyl 4-Nitrophenyl Methyl Ester

分子式

C35 H40 N4 O11 S

分子量

724.777

精确质量测定

724.241

SMILES

COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)SC3=C(N4[C@H]([C@H]3C)[C@@H]([C@@H](C)O)C4=O)C(=O)OCc5ccc(cc5)[N+](=O)[O-])c1

InChI

InChI=1S/C35H40N4O11S/c1-18-27-26(19(2)40)31(42)38(27)28(33(44)49-17-20-10-12-23(13-11-20)39(46)47)29(18)51-24-15-25(37(16-24)34(45)50-35(3,4)5)30(41)36-22-9-7-8-21(14-22)32(43)48-6/h7-14,18-19,24-27,40H,15-17H2,1-6H3,(H,36,41)/t18-,19-,24+,25+,26-,27-/m1/s1

IUPAC

(4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(3-methoxycarbonylphenyl)carbamoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat