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Epithienamycin D

CAT: 0013-GTR19255670-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255670-01Size:50 mg
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Description
Epithienamycin D is a carbapenem antibiotic that exhibits activity against both Gram-positive and Gram-negative bacteria.
CAS Number
65322-98-7
Field of Research
Infectious Disease & Virology
Smiles
C (O) (=O) C=1N2[C@@] ([C@@] ([C@H] (C) O) (C2=O) [H]) (CC1S/C=C/NC (C) =O) [H]
Molecular Formula
C13H16N2O5S
Molecular Weight
312.342
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

carbapenem MM22383

Carbapenem MM22383 is a carbapenemcarboxylic acid having a 2-(acetamidovinyl)sulfanyl group at the 2-position and an (S)-1-hydroxyethyl group at the 6-position. It has a role as an antibacterial drug and a drug allergen. It is a carbapenemcarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid.

CAS Number65322-98-7
PubChem CID22824517
IUPAC Name(5R,6S)-3-[(E)-2-acetamidoethenyl]sulfanyl-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular FormulaC13H16N2O5S
Molecular Weight312.34
XLogP-0.4
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity557
SMILES
C[C@@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S/C=C/NC(=O)C)O
InChI
InChI=1S/C13H16N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h3-4,6,8,10,16H,5H2,1-2H3,(H,14,17)(H,19,20)/b4-3+/t6-,8+,10+/m0/s1
InChIKey
PRPNUZWHFGSGRV-RZFSBTTISA-N
Chemical Structure
2D Structure
2D structure of carbapenem MM22383
CAS: 65322-98-7
CID: 22824517
Formula: C13H16N2O5S
MW: 312.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.34
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass312.07799279
Monoisotopic Mass312.07799279
Topological Polar Surface Area132 Ų
Heavy Atom Count21
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-N14174Epithienamycin A
HY-N14966Epithienamycin B
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