(6R-TRANS)-7-AMINO-8-OXO-3-[[[1-(SULPHOMETHYL)-1H-TETRAZOL-5-YL]THIO]METHYL]-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key ATMROFNURATUIQ-XNCJUZBTSA-N
Smiles N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3CS(=O)(=O)O
InChI
InChI=1/C10H12N6O6S3/c11-5-7(17)16-6(9(18)19)4(1-23-8(5)16)2-24-10-12-13-14-15(10)3-25(20,21)22/h5,8H,1-3,11H2,(H,18,19)(H,20,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N6O6S3
Molecular Weight 408.0
AlogP -1.81
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 181.6
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 61270-71-1
NORMAN SUSDAT
CONTENTS