Nombre del analito

Di-trifluoroethyl Ertapenem

Número CAS

1632985-19-3

Fórmula molecular

C26H27F6N3O7S

Peso molecular

639.57

Masa exacta

639.15

SMILES

O=C(C1=C(S[C@H]2C[C@H](NC2)C(NC3=CC(C(OCC(F)(F)F)=O)=CC=C3)=O)[C@H](C)[C@@]([C@@]4([H])[C@H](O)C)([H])N1C4=O)OCC(F)(F)F

InChI

InChI=1S/C26H27F6N3O7S/c1-11-18-17(12(2)36)22(38)35(18)19(24(40)42-10-26(30,31)32)20(11)43-15-7-16(33-8-15)21(37)34-14-5-3-4-13(6-14)23(39)41-9-25(27,28)29/h3-6,11-12,15-18,33,36H,7-10H2,1-2H3,(H,34,37)/t11-,12-,15+,16+,17-,18-/m1/s1

IUPAC

2,2,2-Trifluoroethyl (4R,5S,6S)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-3-(((3S,5S)-5-((3-((2,2,2-trifluoroethoxy)carbonyl)phenyl)carbamoyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

País de origen

CANADA

Formato del producto

Neat