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MDL-28170

CAT: 0931-T2470-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T2470-08Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88191-84-8
Target
Cysteine Protease, Proteasome
Related Pathways
Proteases/Proteasome, Ubiquitination
Purity
0.9506
Bioactivity
MDL-28170 (Calpain Inhibitor III) is a cysteine protease.
Smiles
CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O
Molecular Formula
C22H26N2O4
Molecular Weight
382.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phenylmethyl N-((1S)-1-(((1-formyl-2-phenylethyl)amino)carbonyl)-2-methylpropyl)carbamate
CAS Number88191-84-8
PubChem CID11199915
IUPAC Namebenzyl N-[(2S)-3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]carbamate
Molecular FormulaC22H26N2O4
Molecular Weight382.5
XLogP2.7
Topological Polar Surface Area84.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity497
SMILES
CC(C)[C@@H](C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1
InChIKey
NGBKFLTYGSREKK-ANYOKISRSA-N
Chemical Structure
2D Structure
2D structure of Phenylmethyl N-((1S)-1-(((1-formyl-2-phenylethyl)amino)carbonyl)-2-methylpropyl)carbamate
CAS: 88191-84-8
CID: 11199915
Formula: C22H26N2O4
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass382.18925731
Monoisotopic Mass382.18925731
Topological Polar Surface Area84.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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