H-Tyr-Gln-OH

CAT: 0926-FT108207-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FT108207-01Size:500 mg

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CAS Number

28252-40-6

MDL Number

MFCD00238229

Smiles

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

Molecular Formula

C14H19N3O5

Molecular Weight

309.32 g/mol

Controlled

Chemical Information

Tyr-Gln

Tyr-Gln is a dipeptide formed from L-tyrosine and L-glutamine residues. It has a role as a metabolite.

CAS Number	28252-40-6
PubChem CID	7020179
IUPAC Name	(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid
Molecular Formula	C14H19N3O5
Molecular Weight	309.32
XLogP	-4.2
Topological Polar Surface Area	156
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	407

SMILES

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

InChI

InChI=1S/C14H19N3O5/c15-10(7-8-1-3-9(18)4-2-8)13(20)17-11(14(21)22)5-6-12(16)19/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)/t10-,11-/m0/s1

InChIKey

UBAQSAUDKMIEQZ-QWRGUYRKSA-N

Chemical Structure

2D Structure

CAS: 28252-40-6

CID: 7020179

Formula: C14H19N3O5

MW: 309.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.32
XLogP3	-4.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	309.13247072
Monoisotopic Mass	309.13247072
Topological Polar Surface Area	156 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	407
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
PVS-3961-PI-01	H-Arg-Gly-Tyr-Val-Tyr-Gln-Gly-Leu-OH
FT108219-01	H-Tyr-Tyr-OH
FT109471-01	H-Tyr-Tyr-Tyr-OH
FA110460-01	H-Asp-Pro-Gln-Phe-Tyr-OH hydrochloride salt
FS110013-01	H-Ser-Gln-Asn-Tyr-Pro-Ile-Val-OH
FA110462-01	Ac-Ser-Gln-Asn-Tyr-OH
FG108031-01	H-Glu (Gln-OH) -OH
FG108042-01	H-Glu (Tyr-OH) -OH
FI108075-01	H-Ile-Gln-OH
FG108277-01	H-Gln-Glu-OH

Catalog	Name
G-3400.0250	H-Tyr-Gln-OH
H-9880.0005	H-Asp-Pro-Gln-Phe-Tyr-OH
N-1685.0001	H-Tyr-Cys-Trp-Ser-Gln-Tyr-Leu-Cys-Tyr-OH
4002313.025	H-Gln-Gln-OH
MBS405715-01	H-Arg-Gly-Tyr-Val-Tyr-Gln-Gly-Leu-OH
BA7188-100	H-Tyr-Tyr-OH
H-5230.0050	H-Tyr-Tyr-Tyr-OH
5-02635	H-Gln-OH