H-Ala-Val-OH

CAT: 0024-sc-285876ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-285876ASize:5 g

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CAS Number

3303-45-5

Chemical Information

Ala-Val

Ala-Val is a dipeptide formed from L-alanyl and L-valine residues. It has a role as a metabolite. It is a tautomer of an Ala-Val zwitterion.

CAS Number	3303-45-5
PubChem CID	96799
IUPAC Name	(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoic acid
Molecular Formula	C8H16N2O3
Molecular Weight	188.22
XLogP	-3
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	204

SMILES

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

InChI

InChI=1S/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1

InChIKey

LIWMQSWFLXEGMA-WDSKDSINSA-N

Chemical Structure

2D Structure

CAS: 3303-45-5

CID: 96799

Formula: C8H16N2O3

MW: 188.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.22
XLogP3	-3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	188.11609238
Monoisotopic Mass	188.11609238
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	204
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