H-Ala-Leu-Oh

CAT: 0127-OR1013451-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1013451-01Size:100 mg

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CAS Number

3303-34-2

MDL Number

MFCD27956985

Purity

98%

Smiles

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

Chemical Information

L-Alanyl-L-leucine

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

CAS Number	3303-34-2
PubChem CID	96801
IUPAC Name	(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid
Molecular Formula	C9H18N2O3
Molecular Weight	202.25
XLogP	-2.8
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	216

SMILES

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

InChI

InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1

InChIKey

RDIKFPRVLJLMER-BQBZGAKWSA-N

Chemical Structure

2D Structure

CAS: 3303-34-2

CID: 96801

Formula: C9H18N2O3

MW: 202.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.25
XLogP3	-2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	202.13174244
Monoisotopic Mass	202.13174244
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	216
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