Structure

InChI Key BVGLWBKHBMAPKY-QBGWIPKPSA-M
Smile CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].O.[Na+]
InChI
InChI=1S/C15H16N2O6S2.Na.H2O/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;1H2/q;+1;/p-1/t7-,8-,9+,12-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17N2NaO7S2
Molecular Weight 424.43
AlogP 0.55
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 124.01
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sepsis 1 D018805 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989647
FDA SRS 34GZ64SH49
PubChem 76964899