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Cephemimycin

CAT: 0931-TN10043-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10043-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34279-51-1
Target
Antibacterial, Antibiotic, Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
Cephemimycin exhibits mild antibacterial and antifungal activity.
Smiles
N(C(CCC[C@H](C(O)=O)N)=O)[C@@]1(OC)[C@@]2(N(C1=O)C(C(O)=O)=C(COC(N)=O)CS2)[H]
Molecular Formula
C16H22N4O9S
Molecular Weight
446.432
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cephamycin C

Cephamycin C is one of three naturally occurring cephamycin antibiotics, differing from the A and B forms in its carbamoyloxymethyl substituent at C-3.

CAS Number34279-51-1
PubChem CID441084
IUPAC Name(6R,7S)-7-[[(5R)-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
CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CCC[C@H](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)/t8-,14-,16+/m1/s1
InChIKey
LXWBXEWUSAABOA-VXSYNFHWSA-N
Chemical Structure
2D Structure
2D structure of Cephamycin C
CAS: 34279-51-1
CID: 441084
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 Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19256302-01Cephemimycin

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