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Cephamycin A

CAT: 0931-TN10311-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10311-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34279-78-2
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Cephamycin A exhibits weak activity against both Gram-positive and Gram-negative bacteria.
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(C(=CC3=CC=C(OS(=O)(=O)O)C=C3)OC)=O)CS2)[H]
Molecular Formula
C25H29N3O14S2
Molecular Weight
659.639
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cephamycin A

Cephamycin A has been reported in Streptomyces with data available.

CAS Number34279-78-2
PubChem CID20054862
IUPAC Name(6R,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-3-[[(Z)-2-methoxy-3-(4-sulfooxyphenyl)prop-2-enoyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC25H29N3O14S2
Molecular Weight659.6
XLogP-2.4
Topological Polar Surface Area292
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count16
Heavy Atom Count44
Formal Charge0
Complexity1320
SMILES
CO/C(=C\C1=CC=C(C=C1)OS(=O)(=O)O)/C(=O)OCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CCC[C@H](C(=O)O)N)OC)SC2)C(=O)O
InChI
InChI=1S/C25H29N3O14S2/c1-39-17(10-13-6-8-15(9-7-13)42-44(36,37)38)22(34)41-11-14-12-43-24-25(40-2,23(35)28(24)19(14)21(32)33)27-18(29)5-3-4-16(26)20(30)31/h6-10,16,24H,3-5,11-12,26H2,1-2H3,(H,27,29)(H,30,31)(H,32,33)(H,36,37,38)/b17-10-/t16-,24-,25+/m1/s1
InChIKey
AGMXVTRKEHGDRH-MYWSHXOVSA-N
Chemical Structure
2D Structure
2D structure of Cephamycin A
CAS: 34279-78-2
CID: 20054862
Formula: C25H29N3O14S2
MW: 659.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight659.6
XLogP3-2.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count16
Exact Mass659.10909495
Monoisotopic Mass659.10909495
Topological Polar Surface Area292 Ų
Heavy Atom Count44
Formal Charge0
Complexity1320
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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