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LHVS

CAT: 0931-T11846-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11846-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
170111-28-1
Target
Parasite, Cysteine Protease
Related Pathways
Proteases/Proteasome, Microbiology/Virology
Bioactivity
LHVS effectively blocks T. gondii microneme protein secretion (IC50=10 μM), gliding motility, and cell invasion. LHVS is a potent, non-selective cysteine protease inhibitor.
Smiles
CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1
Molecular Formula
C28H37N3O5S
Molecular Weight
527.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(1S)-1-[[(E,1S)-3-(benzenesulfonyl)-1-phenethyl-allyl]carbamoyl]-3-methyl-butyl]morpholine-4-carboxamide
CAS Number170111-28-1
PubChem CID5287864
IUPAC NameN-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
Molecular FormulaC28H37N3O5S
Molecular Weight527.7
XLogP3.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity836
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)/C=C/S(=O)(=O)C2=CC=CC=C2)NC(=O)N3CCOCC3
InChI
InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/b20-15+/t24-,26-/m0/s1
InChIKey
YUMYYTORLYHUFW-MSKIIMLESA-N
Chemical Structure
2D Structure
2D structure of N-[(1S)-1-[[(E,1S)-3-(benzenesulfonyl)-1-phenethyl-allyl]carbamoyl]-3-methyl-butyl]morpholine-4-carboxamide
CAS: 170111-28-1
CID: 5287864
Formula: C28H37N3O5S
MW: 527.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.7
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass527.24539246
Monoisotopic Mass527.24539246
Topological Polar Surface Area113 Ų
Heavy Atom Count37
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2071-10LHVS
A19147-10LHVS 10mg
A19147-25LHVS 25mg
A19147-50LHVS 50mg
A19147-5LHVS 5mg
A19147-100LHVS 100mg
A19147-1LHVS 1mg

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