H-Ile-Leu-OH

CAT: 0127-OR1044581-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1044581-01Size:100 mg

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CAS Number

26462-22-6

MDL Number

MFCD00190933

Purity

95%

Smiles

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

Chemical Information

Ile-Leu

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

CAS Number	26462-22-6
PubChem CID	7019083
IUPAC Name	(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular Formula	C12H24N2O3
Molecular Weight	244.33
XLogP	-1.7
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	266

SMILES

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

InChI

InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9-,10-/m0/s1

InChIKey

JWBXCSQZLLIOCI-GUBZILKMSA-N

Chemical Structure

2D Structure

CAS: 26462-22-6

CID: 7019083

Formula: C12H24N2O3

MW: 244.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.33
XLogP3	-1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	244.17869263
Monoisotopic Mass	244.17869263
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	266
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
4010222.0001	H-Ile-Leu-OH
4002987.0001	H-Leu-Ile-OH
PAR-3940-PI-01	H-Ser-Leu-Ile-Gly-Arg-Leu-OH
NBA97295-01	Z-Ile-Leu-OH
H-3820.0001	H-Ile-Ile-Ile-OH
TRC-I266505-1G	H-Ile-ile-oh
M39994	H-Leu-Gln-Val-Gln-Leu-Ser-Ile-Arg-OH
5-02919	H-Ile-OH
PAR-3938-PI-01	H-Ser-Leu-Ile-Gly-Lys-Val-OH