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Tyrosyltyrosine methyl ester

CAT: 0931-T34972-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34972-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13022-41-8
Target
Others
Related Pathways
Others
Bioactivity
Tyrosyltyrosine methyl ester is a peptide.
Smiles
[C@@H](CC1=CC=C(O)C=C1)(NC([C@H](CC2=CC=C(O)C=C2)N)=O)C(OC)=O
Molecular Formula
C19H22N2O5
Molecular Weight
358.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tyrosyltyrosine methyl ester

structure given in first source

CAS Number13022-41-8
PubChem CID151724
IUPAC Namemethyl (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Molecular FormulaC19H22N2O5
Molecular Weight358.4
XLogP0.7
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity457
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C19H22N2O5/c1-26-19(25)17(11-13-4-8-15(23)9-5-13)21-18(24)16(20)10-12-2-6-14(22)7-3-12/h2-9,16-17,22-23H,10-11,20H2,1H3,(H,21,24)/t16-,17-/m0/s1
InChIKey
WMDIJJVEUHFXIU-IRXDYDNUSA-N
Chemical Structure
2D Structure
2D structure of Tyrosyltyrosine methyl ester
CAS: 13022-41-8
CID: 151724
Formula: C19H22N2O5
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP30.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass358.15287181
Monoisotopic Mass358.15287181
Topological Polar Surface Area122 Ų
Heavy Atom Count26
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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