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Alphostatin

CAT: 0931-T25056-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25056-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90119-88-3
Target
Phosphatase, Others
Related Pathways
Metabolism, Others
Bioactivity
Alphostatin is an alkaline phosphatase inhibitor isolated from Bacillus megaterium.
Smiles
CC[C@H](C)[C@H](N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](COP(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Molecular Formula
C25H45N6O13P
Molecular Weight
668.638
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alphostatin

Alphostatin is an oligopeptide.

CAS Number90119-88-3
PubChem CID102274072
IUPAC Name(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phosphonooxypropanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
Molecular FormulaC25H45N6O13P
Molecular Weight668.6
XLogP-5.2
Topological Polar Surface Area327
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Heavy Atom Count45
Formal Charge0
Complexity1120
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C25H45N6O13P/c1-5-12(3)19(27)23(37)31-20(13(4)6-2)24(38)30-16(11-44-45(41,42)43)22(36)28-14(7-9-17(26)32)21(35)29-15(25(39)40)8-10-18(33)34/h12-16,19-20H,5-11,27H2,1-4H3,(H2,26,32)(H,28,36)(H,29,35)(H,30,38)(H,31,37)(H,33,34)(H,39,40)(H2,41,42,43)/t12-,13-,14-,15-,16-,19-,20-/m0/s1
InChIKey
MUMGYSCBSNMHKQ-NKURYSMOSA-N
Chemical Structure
2D Structure
2D structure of Alphostatin
CAS: 90119-88-3
CID: 102274072
Formula: C25H45N6O13P
MW: 668.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight668.6
XLogP3-5.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Exact Mass668.27822251
Monoisotopic Mass668.27822251
Topological Polar Surface Area327 Ų
Heavy Atom Count45
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-P1984Alphostatin

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