H-Tyr-Ala-OH

CAT: 0127-BUP14241-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14241-01Size:25 mg

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CAS Number

730-08-5

Synonyms

H-Tyr-Ala-OH, Tyrosylalanine

Purity

=98%

Smiles

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

Chemical Information

Tyr-Ala

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

CAS Number	730-08-5
PubChem CID	5496455
IUPAC Name	(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
Molecular Formula	C12H16N2O4
Molecular Weight	252.27
XLogP	-3.1
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	300

SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1

InChIKey

NLKUJNGEGZDXGO-XVKPBYJWSA-N

Chemical Structure

2D Structure

CAS: 730-08-5

CID: 5496455

Formula: C12H16N2O4

MW: 252.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.27
XLogP3	-3.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	252.11100700
Monoisotopic Mass	252.11100700
Topological Polar Surface Area	113 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	300
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
OR922946-01	H-Ala-tyr-oh
OR1035264-01	H-Tyr-Tyr-OH
BUP05975-01	H-Ala-Ala-Tyr-OH acetate (67131-52-6 free base)
OR1035181-01	H-Met-Tyr-OH
OR1007549-01	H-Tyr (H2PO3) -OH
OR1027816-01	H-Tyr-Phe-OH
BUP17600	H-Val-Ala-OH
OR1013451-01	H-Ala-Leu-Oh
OR1013450-01	H-Ala-Gln-OH
OR1013476-01	H-D-Tyr (tBu) -OH