POTASSIUM [2S-[2A,5A,6ß(S*)]]-6-(2,2-DIMETHYL-5-OXO-4-PHENYLIMIDAZOLIDIN-1-YL)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE

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

Structure

InChI Key DXVUYOAEDJXBPY-HCYBMXRASA-N
Smiles [K+].CC1(C)S[C@@H]2C(N3C(=O)[C@H](NC3(C)C)c4ccccc4)C(=O)N2[C@H]1C([O-])=O
InChI
InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12?,13+,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23N3O4S1
Molecular Weight 389.14
AlogP 1.41
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 89.95
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 5321-32-4
NORMAN SUSDAT
CONTENTS