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H-Tyr-His-OH

CAT: 0926-FT108209-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FT108209-01Size:100 mg
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CAS Number
3788-44-1
MDL Number
MFCD00238237
Smiles
C1=CC (=CC=C1C[C@@H] (C (=O) N[C@@H] (CC2=CN=CN2) C (=O) O) N) O
Molecular Formula
C15H18N4O4
Molecular Weight
318.33 g/mol
Controlled
No

Chemical Information

Tyr-His

Tyr-His is a dipeptide formed from L-tyrosine and L-histidine residues. It has a role as a metabolite. It is functionally related to a L-histidine and a L-tyrosine.

CAS Number3788-44-1
PubChem CID7020181
IUPAC Name(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Molecular FormulaC15H18N4O4
Molecular Weight318.33
XLogP-3.5
Topological Polar Surface Area141
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity412
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CC2=CN=CN2)C(=O)O)N)O
InChI
InChI=1S/C15H18N4O4/c16-12(5-9-1-3-11(20)4-2-9)14(21)19-13(15(22)23)6-10-7-17-8-18-10/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)/t12-,13-/m0/s1
InChIKey
ZQOOYCZQENFIMC-STQMWFEESA-N
Chemical Structure
2D Structure
2D structure of Tyr-His
CAS: 3788-44-1
CID: 7020181
Formula: C15H18N4O4
MW: 318.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.33
XLogP3-3.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass318.13280507
Monoisotopic Mass318.13280507
Topological Polar Surface Area141 Ų
Heavy Atom Count23
Formal Charge0
Complexity412
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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