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H-Ile-ile-oh

CAT: 0572-TRC-I266505-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I266505-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
42537-99-5
Synonyms
L-Isoleucine, N-L-isoleucyl- (ZCI); L-Isoleucyl-L-isoleucine (ACI); Isoleucine, N-isoleucyl- (7CI); 11: PN: RU2524663 TABLE: 1 claimed sequence; 163: PN: WO2011146121 PAGE: 117 claimed sequence; 39: PN: EP2161028 PAGE: 10 claimed protein; Ile-Ile; Isoleucylisoleucine
Hazard Statement
No Data Available
Smiles
CC[C@H](C)[C@H](N)C(N[C@H](C(O)=O)[C@@H](C)CC)=O
Molecular Formula
C12H24N2O3
Molecular Weight
244.33
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
Additionnal Information
IUPAC name: L-isoleucyl-L-isoleucine
Shipping Conditions
Room Temperature

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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