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BB-83698

CAT: 0931-T26749-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26749-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
325795-25-3
Target
Others
Related Pathways
Others
Bioactivity
BB-83698 is a peptide deformylase inhibitor with potent antimicrobial against streptococci and Moraxella catarrhalis strains.
Smiles
C(C=1C=C2C(=CC1)OCO2)N3CCN(C([C@@H](NC([C@H](CC4CCCC4)CN(C=O)O)=O)C(C)(C)C)=O)CC3
Molecular Formula
C28H42N4O6
Molecular Weight
530.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BB-83698

peptide deformylase inhibitor

CAS Number325795-25-3
PubChem CID9849925
IUPAC Name(2R)-N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
Molecular FormulaC28H42N4O6
Molecular Weight530.7
XLogP3.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity806
SMILES
CC(C)(C)[C@@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)[C@H](CC4CCCC4)CN(C=O)O
InChI
InChI=1S/C28H42N4O6/c1-28(2,3)25(29-26(34)22(17-32(36)18-33)14-20-6-4-5-7-20)27(35)31-12-10-30(11-13-31)16-21-8-9-23-24(15-21)38-19-37-23/h8-9,15,18,20,22,25,36H,4-7,10-14,16-17,19H2,1-3H3,(H,29,34)/t22-,25-/m1/s1
InChIKey
IBEANEPZNLVRRY-RCZVLFRGSA-N
Chemical Structure
2D Structure
2D structure of BB-83698
CAS: 325795-25-3
CID: 9849925
Formula: C28H42N4O6
MW: 530.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.7
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass530.31043507
Monoisotopic Mass530.31043507
Topological Polar Surface Area112 Ų
Heavy Atom Count38
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
584131BB-83698
MBS4380803-01Creatine Phosphokinase-BB (CK-BB)
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167940-01PDGF-BB, Active, Recombinant, Mouse (Murine PDGF-BB, m-PDGF-BB, PDGFBB, PDGF-BB, PDGF BB, rm-PDGF-BB, recombinant murine PDGF-BB, recombinant PDGF-BB, PDGF) discontinued
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