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Bestatin methyl ester

CAT: 0931-T88754-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88754-02Size:50 mg
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CAS Number
65322-89-6
Target
Aminopeptidase
Related Pathways
Metabolism
Bioactivity
Bestatin methyl ester (600, 900 μM; 24 h) inhibits spore cell differentiation in Dictyostelium discoideum.
Smiles
[C@@H](NC([C@H]([C@@H](CC1=CC=CC=C1)N)O)=O)(C(OC)=O)CC(C)C
Molecular Formula
C17H26N2O4
Molecular Weight
322.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bestatin Methyl Ester
CAS Number65322-89-6
PubChem CID9927170
IUPAC Namemethyl (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate
Molecular FormulaC17H26N2O4
Molecular Weight322.4
XLogP1.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity381
SMILES
CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O
InChI
InChI=1S/C17H26N2O4/c1-11(2)9-14(17(22)23-3)19-16(21)15(20)13(18)10-12-7-5-4-6-8-12/h4-8,11,13-15,20H,9-10,18H2,1-3H3,(H,19,21)/t13-,14+,15+/m1/s1
InChIKey
WGNKTWBIPBOGLO-ILXRZTDVSA-N
Chemical Structure
2D Structure
2D structure of Bestatin Methyl Ester
CAS: 65322-89-6
CID: 9927170
Formula: C17H26N2O4
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass322.18925731
Monoisotopic Mass322.18925731
Topological Polar Surface Area102 Ų
Heavy Atom Count23
Formal Charge0
Complexity381
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