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BMS 180680

CAT: 0013-GTR19195378-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195378-02Size:100 mg
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Description
BMS 180680 is a novel catechol-monolactam antibacterial agent with potent activity against numerous Enterobacteriaceae species. It serves as a valuable research tool for studying beta-lactam resistance mechanisms and has demonstrated efficacy in both in vitro microbiological assays and in vivo infection model studies.
CAS Number
142654-34-0
Field of Research
Infectious Disease & Virology
Smiles
C (O/N=C (\C (N[C@H]1[C@@H] (C) N (S (=O) (=O) O) C1=O) =O) /C2=CSC (N) =N2) C3=NC4=C (N=C3C (O) =O) C=C (O) C (O) =C4
Molecular Formula
C19H17N7O10S2
Molecular Weight
567.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms 180680

structure in first source

CAS Number142654-34-0
PubChem CID135666515
IUPAC Name3-[[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxymethyl]-6,7-dihydroxyquinoxaline-2-carboxylic acid
Molecular FormulaC19H17N7O10S2
Molecular Weight567.5
XLogP0
Topological Polar Surface Area304
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity1090
SMILES
C[C@H]1[C@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\OCC2=NC3=CC(=C(C=C3N=C2C(=O)O)O)O)/C4=CSC(=N4)N
InChI
InChI=1S/C19H17N7O10S2/c1-6-13(17(30)26(6)38(33,34)35)24-16(29)14(10-5-37-19(20)23-10)25-36-4-9-15(18(31)32)22-8-3-12(28)11(27)2-7(8)21-9/h2-3,5-6,13,27-28H,4H2,1H3,(H2,20,23)(H,24,29)(H,31,32)(H,33,34,35)/b25-14-/t6-,13+/m0/s1
InChIKey
FAUHVXXXXAHABE-ZOUYLLLXSA-N
Chemical Structure
2D Structure
2D structure of Bms 180680
CAS: 142654-34-0
CID: 135666515
Formula: C19H17N7O10S2
MW: 567.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.5
XLogP30
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass567.04783211
Monoisotopic Mass567.04783211
Topological Polar Surface Area304 Ų
Heavy Atom Count38
Formal Charge0
Complexity1090
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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