Cefiderocol
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-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
Molecular Identity
Cefiderocol
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-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
PubChem CID: 77843966
2D Structure
Properties
C30H34ClN7O10S2
Molecular Formula
752.20
Molecular Weight
g/mol
751.1497
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
310
TPSA
May have limited oral absorption
6
H-Bond Donors
15
H-Bond Acceptors
1440
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Cefiderocol1225208-94-5GSK2696266S-649266SZ34OMG6E8RSC649266RSC-649266GSK-2696266(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-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-carboxylateRSC 649266DTXSID401098052S649266GSK 2696266Pyrrolidinium, 1-(((6R,7R)-7-(((2Z)-2-(2-amino-4-thiazolyl)-2-((1-carboxy-1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-((2-chloro-3,4-dihydroxybenzoyl)amino)ethyl)-, inner saltS 649266
Data from PubChem (NCBI)
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