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Agaritine

CAT: 0931-T29710-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29710-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2757-90-6
Target
Others, HIV Protease
Related Pathways
Microbiology/Virology, Others, Proteases/Proteasome
Bioactivity
Agaritine develops from mushrooms.
Smiles
N[C@@H](CCC(=O)NNc1ccc(CO)cc1)C(O)=O
Molecular Formula
C12H17N3O4
Molecular Weight
267.285
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Agaritine

Agaritine is a member of benzyl alcohols, a carbohydrazide, a non-proteinogenic L-alpha-amino acid and a L-glutamic acid derivative. It is a tautomer of an agaritine zwitterion.

CAS Number2757-90-6
PubChem CID439517
IUPAC Name(2S)-2-amino-5-[2-[4-(hydroxymethyl)phenyl]hydrazinyl]-5-oxopentanoic acid
Molecular FormulaC12H17N3O4
Molecular Weight267.28
XLogP-2.8
Topological Polar Surface Area125
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity303
SMILES
C1=CC(=CC=C1CO)NNC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKey
SRSPQXBFDCGXIZ-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Agaritine
CAS: 2757-90-6
CID: 439517
Formula: C12H17N3O4
MW: 267.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.28
XLogP3-2.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass267.12190603
Monoisotopic Mass267.12190603
Topological Polar Surface Area125 Ų
Heavy Atom Count19
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CAA75790Agaritine
RM-A820002-01Agaritine Impurity 2

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