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BB-83698

CAT: 0013-GTR19224408-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224408-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BB-83698 is a potent peptide deformylase inhibitor effective against Streptococcus spp. and Moraxella catarrhalis. It serves as a valuable research tool for studying bacterial protein maturation and has demonstrated activity in both in vitro antimicrobial assays and in vivo infection model studies.
CAS Number
325795-25-3
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
Storage Conditions
-20°C
Notes
For research use only.

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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