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LY 215890

CAT: 0013-GTR19197198-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197198-02Size:50 mg
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Description
LY 215890 is a small molecule antibiotic with potent activity against both Gram-positive and Gram-negative bacteria. It is a useful research tool for in vitro antimicrobial assays and for studying bacterial resistance mechanisms in preclinical models.
CAS Number
153502-35-3
Field of Research
Infectious Disease & Virology
Smiles
C (O) (=O) C=1N2[C@@] ([C@H] (NC (/C (=N\O) /C=3N=C (N) SC3) =O) C2=O) (CCC1Cl) [H]
Molecular Formula
C13H12ClN5O5S
Molecular Weight
385.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY 215890

exhibits potent Gram-(+) and Gram-(-) antibacterial activity; structure in first source

CAS Number153502-35-3
PubChem CID9578255
IUPAC Name(6R,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC13H12ClN5O5S
Molecular Weight385.78
XLogP1.2
Topological Polar Surface Area186
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity698
SMILES
C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)C(=O)O)Cl
InChI
InChI=1S/C13H12ClN5O5S/c14-4-1-2-6-8(11(21)19(6)9(4)12(22)23)17-10(20)7(18-24)5-3-25-13(15)16-5/h3,6,8,24H,1-2H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7+/t6-,8+/m1/s1
InChIKey
FIWZSPHSVMRFPH-NPBNKCFNSA-N
Chemical Structure
2D Structure
2D structure of LY 215890
CAS: 153502-35-3
CID: 9578255
Formula: C13H12ClN5O5S
MW: 385.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.78
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass385.0247674
Monoisotopic Mass385.0247674
Topological Polar Surface Area186 Ų
Heavy Atom Count25
Formal Charge0
Complexity698
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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