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Ubenimex

CAT: 0926-FU65199-04Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FU65199-04Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58970-76-6
MDL Number
MFCD00083262
Smiles
CC (C) C[C@@H] (C (=O) O) NC (=O) [C@H] ([C@@H] (CC1=CC=CC=C1) N) O
Molecular Formula
C16H24N2O4
Molecular Weight
308.37 g/mol
Controlled
No

Chemical Information

Ubenimex

Ubenimex (also known as bestatin) is a competitive protease inhibitor. It is an inhibitor of aminopeptidase B, leukotriene A4 hydrolase, aminopeptidase N. It is being studied for use in the treatment of acute myelocytic leukemia.

CAS Number58970-76-6
PubChem CID72172
IUPAC Name(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC16H24N2O4
Molecular Weight308.37
XLogP-1
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity367
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O
InChI
InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
InChIKey
VGGGPCQERPFHOB-RDBSUJKOSA-N
Chemical Structure
2D Structure
2D structure of Ubenimex
CAS: 58970-76-6
CID: 72172
Formula: C16H24N2O4
MW: 308.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.37
XLogP3-1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass308.17360725
Monoisotopic Mass308.17360725
Topological Polar Surface Area113 Ų
Heavy Atom Count22
Formal Charge0
Complexity367
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

Alternative Products

CatalogName
MBS3605179-01Ubenimex
540043Ubenimex HCl
RM-U021407-01Ubenimex-d5
A10958-5Bestatin (Ubenimex)
GTR19198797-01OH-Ubenimex
MBS406171-01Ubenimex (Bestatin)
RM-U021401-01Ubenimex Impurity A

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