[6R-[6A,7ß(Z)]]-7-[2-FURYL(METHOXYIMINO)ACETAMIDO]-3-(HYDROXYMETHYL)-8-OXO-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 OUSLHGWWWMRAIG-UHFFFAOYSA-N
Smiles O=C(O)C1=C(CO)CSC2N1C(=O)C2NC(=O)C(=NOC)C=3OC=CC3
InChI
InChI=1/C15H15N3O7S/c1-24-17-9(8-3-2-4-25-8)12(20)16-10-13(21)18-11(15(22)23)7(5-19)6-26-14(10)18/h2-4,10,14,19H,5-6H2,1H3,(H,16,20)(H,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15N3O7S
Molecular Weight 381.06
AlogP 0.2
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 145.16
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 56271-94-4
NORMAN SUSDAT
PubChem 92086
CONTENTS