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IDP-73152 mesylate

CAT: 0931-T70053-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70053-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1936442-71-5
Target
Others
Related Pathways
Others
Bioactivity
IDP-73152 mesylate is a peptide deformylase inhibitor.
Smiles
CS(O)(=O)=O.CC(C)(C)[C@H](NC(=O)[C@@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC(CC1)NCc1cc(F)c(F)cc1F
Molecular Formula
C29H45F3N4O7S
Molecular Weight
650.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

IDP-73152 mesylate
CAS Number1936442-71-5
PubChem CID154731642
IUPAC Name(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]butan-2-yl]-3-[formyl(hydroxy)amino]propanamide;methanesulfonic acid
Molecular FormulaC29H45F3N4O7S
Molecular Weight650.8
Topological Polar Surface Area165
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity908
SMILES
CC(C)(C)[C@@H](C(=O)N1CCC(CC1)NCC2=CC(=C(C=C2F)F)F)NC(=O)[C@H](CC3CCCC3)CN(C=O)O.CS(=O)(=O)O
InChI
InChI=1S/C28H41F3N4O4.CH4O3S/c1-28(2,3)25(33-26(37)20(16-35(39)17-36)12-18-6-4-5-7-18)27(38)34-10-8-21(9-11-34)32-15-19-13-23(30)24(31)14-22(19)29;1-5(2,3)4/h13-14,17-18,20-21,25,32,39H,4-12,15-16H2,1-3H3,(H,33,37);1H3,(H,2,3,4)/t20-,25-;/m1./s1
InChIKey
AURIORGFGUWJMG-RGFBGPCLSA-N
Chemical Structure
2D Structure
2D structure of IDP-73152 mesylate
CAS: 1936442-71-5
CID: 154731642
Formula: C29H45F3N4O7S
MW: 650.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass650.29610545
Monoisotopic Mass650.29610545
Topological Polar Surface Area165 Ų
Heavy Atom Count44
Formal Charge0
Complexity908
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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