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Bestatin hydrochloride

CAT: 0013-GTR19161098-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19161098-01Size:1 g
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Description
Bestatin (Ubenimex) hydrochlorideis an inhibitor of aminopeptidase N (APN) /CD13 and aminopeptidase B.
CAS Number
65391-42-6
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CC (C) C[C@@H] (C (=O) O) NC (=O) [C@H] ([C@@H] (CC1=CC=CC=C1) N) O.Cl
Molecular Formula
C16H25ClN2O4
Molecular Weight
344.84
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ubenimex hydrochloride

Bestatin (hydrochloride) is a peptide.

CAS Number65391-42-6
PubChem CID11957481
IUPAC Name(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;hydrochloride
Molecular FormulaC16H25ClN2O4
Molecular Weight344.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity367
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O.Cl
InChI
InChI=1S/C16H24N2O4.ClH/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);1H/t12-,13+,14+;/m1./s1
InChIKey
XGDFITZJGKUSDK-UDYGKFQRSA-N
Chemical Structure
2D Structure
2D structure of Ubenimex hydrochloride
CAS: 65391-42-6
CID: 11957481
Formula: C16H25ClN2O4
MW: 344.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass344.1502850
Monoisotopic Mass344.1502850
Topological Polar Surface Area113 Ų
Heavy Atom Count23
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 Count2
Compound Is CanonicalizedYes

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