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Cephamycin C

CAT: 0931-T26980-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26980-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38429-35-5
Target
Antibiotic, Antibacterial, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Cephamycin C (CepC) is a nontoxic β-lactam antibiotic distinguished by its superior resistance to β-lactamases compared to other cephalosporins.
Smiles
O=C(O)C1=C(COC(=O)N)CSC2N1C(=O)C2(OC)NC(=O)CCCC(N)C(=O)O
Molecular Formula
C16H22N4O9S
Molecular Weight
446.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-7-methoxy-8-oxo-
CAS Number38429-35-5
PubChem CID123731
IUPAC Name7-[(5-amino-5-carboxypentanoyl)amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H22N4O9S
Molecular Weight446.4
XLogP-4.3
Topological Polar Surface Area237
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity802
SMILES
COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CCCC(C(=O)O)N
InChI
InChI=1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)
InChIKey
LXWBXEWUSAABOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-7-methoxy-8-oxo-
CAS: 38429-35-5
CID: 123731
Formula: C16H22N4O9S
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.4
XLogP3-4.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass446.11074947
Monoisotopic Mass446.11074947
Topological Polar Surface Area237 Ų
Heavy Atom Count30
Formal Charge0
Complexity802
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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