(6R-TRANS)-7-AMINO-8-OXO-3-[[[1-(SULFOMETHYL)-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-XCGJVMPOSA-N
Smiles NC1[C@H]2SCC(CSc3nnnn3CS(O)(=O)=O)=C(N2C1=O)C(O)=O
InChI
InChI=1S/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)/t5?,8-/m1/s1

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
NORMAN SUSDAT
PubChem 87506921
ChemSpider 57457041.0
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