2’-​Des(aminothiazolyl)-2’-(5-Amino-1,​2,​4-​thiadiazol-3-yl)-Cefiderocol

Analyte Name

2'-Des(aminothiazolyl)-2'-(5-Amino-1,2,4-thiadiazol-3-yl)-Cefiderocol

CAS Number

1225208-43-4

Molecular Formula

C29 H33 Cl N8 O10 S2

Molecular Weight

753.203

Accurate Mass

752.145

SMILES

CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)\c5nsc(N)n5)C(=O)O

InChI

InChI=1S/C29H33ClN8O10S2/c1-29(2,27(46)47)48-35-17(21-34-28(31)50-36-21)23(42)33-18-24(43)37-19(26(44)45)13(12-49-25(18)37)11-38(8-3-4-9-38)10-7-32-22(41)14-5-6-15(39)20(40)16(14)30/h5-6,18,25H,3-4,7-12H2,1-2H3,(H7-,31,32,33,34,35,36,39,40,41,42,44,45,46,47)/t18-,25-/m1/s1

IUPAC

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat