Products for Research Use Only
RegisterLogin

Antibacterial agent 53

CAT: 0931-T38878-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T38878-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1426572-61-3
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Antibacterial agent 53 (example 19) is an antibacterial agent.
Smiles
[H][C@]12CN([C@@H](CC1)c1nnc(o1)C(N)c1ccccc1)C(=O)N2OS(O)(=O)=O |TLB:23:22:4.5.6:2,7:4:2:20.22|
Molecular Formula
C15H17N5O6S
Molecular Weight
395.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antibacterial agent 53
CAS Number1426572-61-3
PubChem CID163323821
IUPAC Name[(2S,5R)-2-[5-[amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular FormulaC15H17N5O6S
Molecular Weight395.4
XLogP-3.1
Topological Polar Surface Area160
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity666
SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C3=NN=C(O3)C(C4=CC=CC=C4)N
InChI
InChI=1S/C15H17N5O6S/c16-12(9-4-2-1-3-5-9)14-18-17-13(25-14)11-7-6-10-8-19(11)15(21)20(10)26-27(22,23)24/h1-5,10-12H,6-8,16H2,(H,22,23,24)/t10-,11+,12?/m1/s1
InChIKey
QTAOOAFBOWNTSU-UBNQGINQSA-N
Chemical Structure
2D Structure
2D structure of Antibacterial agent 53
CAS: 1426572-61-3
CID: 163323821
Formula: C15H17N5O6S
MW: 395.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.4
XLogP3-3.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass395.08995445
Monoisotopic Mass395.08995445
Topological Polar Surface Area160 Ų
Heavy Atom Count27
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T210258-01Antibacterial agent
T210853-01Antibacterial agent 283
T210404-01Antibacterial agent 230
T210202-01Antibacterial agent 222
T210114-01Antibacterial agent 215
T210052-01Antibacterial agent 224
T209715-01Antibacterial agent 200
T209463-01Antibacterial agent 196
T209261-01Antibacterial agent 193
T209238-01Antibacterial agent 180

Alternative Products

CatalogName
GTR19262817-01Antibacterial agent
HY-178368Antibacterial agent 293
HY-174852Antibacterial agent 285
HY-173238Antibacterial agent 273
HY-173080Antibacterial agent 267
HY-172793Antibacterial agent 276
HY-170760Antibacterial agent 258
HY-168955Antibacterial agent 269
HY-168853Antibacterial agent 261
HY-174326Antibacterial agent 282

Popular Products