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Cyclo (Ala-Tyr)

CAT: 0804-HY-W971376Size: 1 EachDry Ice: NoHazardous: No
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Description
Cyclo (Ala-Tyr) is a cyclic dipeptide that can be isolated from the fermentation broth of the marine microorganism Bacillus marinus B-9987 isolated from the rhizosphere tissue of Suaeda salsa in the intertidal zone of Bohai Bay, China[1].
CAS Number
21754-26-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cyclo-ala-tyr.html
Smiles
O=C(N[C@H](C(N1)=O)C)[C@@H]1CC2=CC=C(C=C2)O
Molecular Formula
C12H14N2O3
Molecular Weight
234.25
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Liu, et al. "A new antifungal cyclic lipopeptide from Bacillus marinus B‐9987." Helvetica Chimica Acta 93.12 (2010) : 2419-2425.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cyclo(Ala-Tyr)

3-[(4-Hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione has been reported in Portulaca oleracea with data available.

CAS Number21754-26-7
PubChem CID571964
IUPAC Name3-[(4-hydroxyphenyl)methyl]-6-methylpiperazine-2,5-dione
Molecular FormulaC12H14N2O3
Molecular Weight234.25
XLogP0.7
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity311
SMILES
CC1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O
InChI
InChI=1S/C12H14N2O3/c1-7-11(16)14-10(12(17)13-7)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6H2,1H3,(H,13,17)(H,14,16)
InChIKey
MFUNIDMQFPXVGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclo(Ala-Tyr)
CAS: 21754-26-7
CID: 571964
Formula: C12H14N2O3
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass234.10044231
Monoisotopic Mass234.10044231
Topological Polar Surface Area78.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity311
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TN6688Cyclo (Ala-Tyr)
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