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AE-3763

CAT: 0931-T10254-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10254-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
291778-77-3
Target
Serine Protease
Related Pathways
Proteases/Proteasome
Bioactivity
AE-3763 is a peptide-based inhibitor of human neutrophil elastase with an IC50 of 29 nM.
Smiles
CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Molecular Formula
C23H34F3N5O7
Molecular Weight
549.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AE-3763
CAS Number291778-77-3
PubChem CID9807572
IUPAC Name2-[3-[2-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-2-oxoethyl]-2-oxoimidazolidin-1-yl]acetic acid
Molecular FormulaC23H34F3N5O7
Molecular Weight549.5
XLogP1.4
Topological Polar Surface Area156
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity956
SMILES
CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)CN2CCN(C2=O)CC(=O)O
InChI
InChI=1S/C23H34F3N5O7/c1-12(2)17(19(35)23(24,25)26)28-20(36)14-6-5-7-31(14)21(37)18(13(3)4)27-15(32)10-29-8-9-30(22(29)38)11-16(33)34/h12-14,17-18H,5-11H2,1-4H3,(H,27,32)(H,28,36)(H,33,34)/t14-,17-,18-/m0/s1
InChIKey
DHQQXRRWRZFGDW-WBAXXEDZSA-N
Chemical Structure
2D Structure
2D structure of AE-3763
CAS: 291778-77-3
CID: 9807572
Formula: C23H34F3N5O7
MW: 549.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight549.5
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass549.24103293
Monoisotopic Mass549.24103293
Topological Polar Surface Area156 Ų
Heavy Atom Count38
Formal Charge0
Complexity956
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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