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Isosulfazecin

CAT: 0931-T24180-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24180-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77900-75-5
Target
Antibiotic, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Isosulfazecin is a beta-lactam antibiotic.
Smiles
CO[C@@]1(CN(C1=O)S(O)(=O)=O)NC(=O)[C@H](C)NC(=O)CC[C@@H](N)C(O)=O
Molecular Formula
C12H20N4O9S
Molecular Weight
396.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isosulfazecin

Isosulfazecin is an oligopeptide.

CAS Number77900-75-5
PubChem CID71300422
IUPAC Name(2R)-2-amino-5-[[(2S)-1-[[(3R)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC12H20N4O9S
Molecular Weight396.38
XLogP-5.3
Topological Polar Surface Area214
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity704
SMILES
C[C@@H](C(=O)N[C@]1(CN(C1=O)S(=O)(=O)O)OC)NC(=O)CC[C@H](C(=O)O)N
InChI
InChI=1S/C12H20N4O9S/c1-6(14-8(17)4-3-7(13)10(19)20)9(18)15-12(25-2)5-16(11(12)21)26(22,23)24/h6-7H,3-5,13H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)(H,22,23,24)/t6-,7+,12+/m0/s1
InChIKey
MOBOUQJWGBVNCR-QRPMWFLTSA-N
Chemical Structure
2D Structure
2D structure of Isosulfazecin
CAS: 77900-75-5
CID: 71300422
Formula: C12H20N4O9S
MW: 396.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.38
XLogP3-5.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass396.09509940
Monoisotopic Mass396.09509940
Topological Polar Surface Area214 Ų
Heavy Atom Count26
Formal Charge0
Complexity704
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
HY-121120Isosulfazecin

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