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H-Ile-Ile-OH

CAT: 0121-4007632.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4007632.0001Size:1 g
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CAS Number
42537-99-5
Specifications
G-2405.0001
Sequence
H-Ile-Ile-OH
Molecular Formula
C₁₂H₂₄N₂O₃
Molecular Weight
244.33
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Ile-Ile

Ile-Ile is a dipeptide formed from two L-isoleucine residues. It has a role as a Mycoplasma genitalium metabolite and a human metabolite. It is functionally related to a L-isoleucine.

CAS Number42537-99-5
PubChem CID7010568
IUPAC Name(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoic acid
Molecular FormulaC12H24N2O3
Molecular Weight244.33
XLogP-1.8
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity268
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)N
InChI
InChI=1S/C12H24N2O3/c1-5-7(3)9(13)11(15)14-10(12(16)17)8(4)6-2/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t7-,8-,9-,10-/m0/s1
InChIKey
BCVIOZZGJNOEQS-XKNYDFJKSA-N
Chemical Structure
2D Structure
2D structure of Ile-Ile
CAS: 42537-99-5
CID: 7010568
Formula: C12H24N2O3
MW: 244.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.33
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass244.17869263
Monoisotopic Mass244.17869263
Topological Polar Surface Area92.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-I266505-1GH-Ile-ile-oh
FI109096-01H-Ile-Ile-Ile-OH acetate salt
FI48745Ile-Ile-OH
5-02919H-Ile-OH
RM-F131571-01Fmoc-Ile-Ile-Oh
HY-W011054-01Z-Ile-Ile-OH
167808Diprotin A, H-Ile-Pro-Ile-OH discontinued
M39991H-Arg-Asn-Ile-Ala-Glu-Ile-Ile-Lys-Asp-Ile-OH
FI108271-01H-Ile-Glu-OH
FI108082-01H-Ile-Trp-OH

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