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Carpetimycin D

CAT: 0013-GTR19255556-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255556-02Size:10 mg
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Description
Carpetimycin D exhibits potent activity against both Gram-positive and Gram-negative bacteria, including those that produce β-lactamase. Additionally, Carpetimycin D strongly inhibits β-lactamase.
CAS Number
87139-37-5
Field of Research
Infectious Disease & Virology
Smiles
C (OS (=O) (=O) O) (C) (C) [C@H]1[C@@]2 (N (C (C (O) =O) =C (S (CCNC (C) =O) =O) C2) C1=O) [H]
Molecular Formula
C14H20N2O9S2
Molecular Weight
424.447
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Carpetimycin D

carpetimycin d has been reported in Streptomyces with data available.

CAS Number87139-37-5
PubChem CID9577843
IUPAC Name(5R,6R)-3-[(R)-2-acetamidoethylsulfinyl]-7-oxo-6-(2-sulfooxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular FormulaC14H20N2O9S2
Molecular Weight424.5
XLogP-2.6
Topological Polar Surface Area195
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity841
SMILES
CC(=O)NCC[S@@](=O)C1=C(N2[C@H](C1)[C@@H](C2=O)C(C)(C)OS(=O)(=O)O)C(=O)O
InChI
InChI=1S/C14H20N2O9S2/c1-7(17)15-4-5-26(21)9-6-8-10(14(2,3)25-27(22,23)24)12(18)16(8)11(9)13(19)20/h8,10H,4-6H2,1-3H3,(H,15,17)(H,19,20)(H,22,23,24)/t8-,10+,26-/m1/s1
InChIKey
IXJHZBNZTOAWNU-LGAJQSDJSA-N
Chemical Structure
2D Structure
2D structure of Carpetimycin D
CAS: 87139-37-5
CID: 9577843
Formula: C14H20N2O9S2
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP3-2.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass424.06102257
Monoisotopic Mass424.06102257
Topological Polar Surface Area195 Ų
Heavy Atom Count27
Formal Charge0
Complexity841
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes