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H-Met-Ile-OH

CAT: 0121-4015624.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4015624.0001Size:1 g
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CAS Number
40883-17-8
Specifications
G-2755.0001
Sequence
H-Met-Ile-OH
Molecular Formula
C₁₁H₂₂N₂O₃S
Molecular Weight
262.37
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

L-methionyl-L-isoleucine

Met-Ile is a dipeptide formed from L-methionine and L-isoleucine residues. It has a role as a metabolite.

CAS Number40883-17-8
PubChem CID6451660
IUPAC Name(2S,3S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylpentanoic acid
Molecular FormulaC11H22N2O3S
Molecular Weight262.37
XLogP-2.2
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count17
Formal Charge0
Complexity261
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCSC)N
InChI
InChI=1S/C11H22N2O3S/c1-4-7(2)9(11(15)16)13-10(14)8(12)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1
InChIKey
OGGRSJFVXREKOR-CIUDSAMLSA-N
Chemical Structure
2D Structure
2D structure of L-methionyl-L-isoleucine
CAS: 40883-17-8
CID: 6451660
Formula: C11H22N2O3S
MW: 262.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.37
XLogP3-2.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass262.13511374
Monoisotopic Mass262.13511374
Topological Polar Surface Area118 Ų
Heavy Atom Count17
Formal Charge0
Complexity261
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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