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BB-3497

CAT: 0931-T26747-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26747-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
235784-88-0
Bioactivity
BB-3497, a potent inhibitor of Escherichia coli peptide deformylase, has antibacterial activity both in vitro and in vivo.
Smiles
[C@H](C(N[C@H](C(N(C)C)=O)[C@@](C)(C)C)=O)(CN(C=O)O)CCCC
Molecular Formula
C16H31N3O4
Molecular Weight
329.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BB 3497

peptide deformylase inhibitor; structure in first source

CAS Number235784-88-0
PubChem CID159596
IUPAC Name(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
Molecular FormulaC16H31N3O4
Molecular Weight329.43
XLogP1.8
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity405
SMILES
CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
InChI
InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
InChIKey
AVDLWYHBABSSHC-CHWSQXEVSA-N
Chemical Structure
2D Structure
2D structure of BB 3497
CAS: 235784-88-0
CID: 159596
Formula: C16H31N3O4
MW: 329.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.43
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass329.23145648
Monoisotopic Mass329.23145648
Topological Polar Surface Area90 Ų
Heavy Atom Count23
Formal Charge0
Complexity405
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
MBS5776474BB-3497
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MBS439874-01Creatine Kinase-BB (CK-BB)
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