EC 403-690-5
(6R,7R)-7-amino-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Identity
EC 403-690-5
(6R,7R)-7-amino-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
PubChem CID: 13884348
2D Structure
Properties
C14H15N3O5S3
Molecular Formula
401.50
Molecular Weight
g/mol
401.0174
Exact Mass
Da
-2.3
XLogP
Drug-like (Lipinski: < 5)
213
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
643
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
EC 403-690-5EC 619-847-8(6R-trans)-7-Amino-3-(((5-(carboxymethyl)-4-methyl-2-thiazolyl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid7-Amino-3-((5-carboxymethyl-4-methyl-1,3-thiazol-2-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-Amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-Amino-3-(((5-(carboxymethyl)-4-methyl-2-thiazolyl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R-trans)-7-Amino-3-(((5-(carboxymethyl)-4-methyl-2-thiazolyl)thio)methyl)-8-oxo-5-thia-1-azabicyclo-(4.2.0)oct-2-en-2-carboxylic acid(6R-trans)-7-amino-3-[([5-(carboxymethyl)-4-methyl-2-thiazolyl]thio)methyl]-8-oxo-5-thia-1-azabicyclo-[4.2.0]oct-2-en-2-carboxylic acid(6R-trans)-7-amino-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidRefChem:405227403-690-5619-847-8111298-82-9TACS(6R,7R)-7-amino-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Data from PubChem (NCBI)
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