H-Tyr-Glu-OH

CAT: 0926-FT108206-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FT108206-01Size:50 mg

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CAS Number

2545-89-3

MDL Number

MFCD00037301

Smiles

C1=CC (=CC=C1C[C@@H] (C (=O) N[C@@H] (CCC (=O) O) C (=O) O) N) O

Molecular Formula

C14H18N2O6

Molecular Weight

310.3 g/mol

Controlled

Chemical Information

Tyr-Glu

Tyr-Glu is a dipeptide formed from L-tyrosine and L-glutamic acid residues. It has a role as a metabolite.

CAS Number	2545-89-3
PubChem CID	7009628
IUPAC Name	(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid
Molecular Formula	C14H18N2O6
Molecular Weight	310.30
XLogP	-3.6
Topological Polar Surface Area	150
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	406

SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)O

InChI

InChI=1S/C14H18N2O6/c15-10(7-8-1-3-9(17)4-2-8)13(20)16-11(14(21)22)5-6-12(18)19/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)/t10-,11-/m0/s1

InChIKey

PDSLRCZINIDLMU-QWRGUYRKSA-N

Chemical Structure

2D Structure

CAS: 2545-89-3

CID: 7009628

Formula: C14H18N2O6

MW: 310.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.30
XLogP3	-3.6
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	310.11648630
Monoisotopic Mass	310.11648630
Topological Polar Surface Area	150 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FG108933-01	H-Glu-Tyr-Glu-OH
FG108042-01	H-Glu (Tyr-OH) -OH
FG108041	H-Glu-Tyr-OH
FG108926-01	H-Glu-Thr-Tyr-OH
FG108922-01	H-Glu-Phe-Tyr-OH
FT109619-01	H-Tyr-Glu-Trp-OH
FS183525-01	H-Ser-Ala-Glu-Glu-Tyr-Glu-Tyr-Pro-Ser OH trifluoroacetate
FG110840	Z-Glu-Tyr-OH
FG108030-01	H-Glu (Glu-OH) -OH
FA108752-01	H-Asn-Pro-Glu-Tyr (PO3H2) -OH