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LBM-415

CAT: 0931-T27802-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27802-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
478913-91-6
Target
Others, Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
LBM-415 is a peptide deformylase (PDF) inhibitor.
Smiles
C([C@@H](CN(C=O)O)CCCC)(=O)N1[C@H](C(NC=2N(=O)=CC(F)=CC2)=O)CCC1
Molecular Formula
C18H25FN4O5
Molecular Weight
396.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-Prolinamide, (2R)-2-butyl-N-formyl-N-hydroxy-beta-alanyl-N-(5-fluoro-1-oxido-2-pyridinyl)-
CAS Number478913-91-6
PubChem CID9690139
IUPAC Name(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
Molecular FormulaC18H25FN4O5
Molecular Weight396.4
XLogP0.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity693
SMILES
CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1C(=O)N=C2C=CC(=CN2O)F
InChI
InChI=1S/C18H25FN4O5/c1-2-3-5-13(10-21(27)12-24)18(26)22-9-4-6-15(22)17(25)20-16-8-7-14(19)11-23(16)28/h7-8,11-13,15,27-28H,2-6,9-10H2,1H3/t13-,15+/m1/s1
InChIKey
AYCMYBACERJYNY-HIFRSBDPSA-N
Chemical Structure
2D Structure
2D structure of L-Prolinamide, (2R)-2-butyl-N-formyl-N-hydroxy-beta-alanyl-N-(5-fluoro-1-oxido-2-pyridinyl)-
CAS: 478913-91-6
CID: 9690139
Formula: C18H25FN4O5
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass396.18089807
Monoisotopic Mass396.18089807
Topological Polar Surface Area114 Ų
Heavy Atom Count28
Formal Charge0
Complexity693
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