Products for Research Use Only

Fmoc-N-Me-Ile-OH

CAT: 0013-GTR19202714-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202714-01Size:200 mg
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Description
Fmoc-N-methylisoleucine is a protected amino acid derivative used in solid-phase peptide synthesis (SPPS) . It facilitates the incorporation of N-methylated residues, which are crucial for enhancing peptide metabolic stability and membrane permeability in both in vitro and in vivo pharmacological studies.
CAS Number
138775-22-1
Field of Research
Metabolism Research
Smiles
[H][C@@] ([C@@H] (C) CC) (N (C) C (=O) OCC1c2ccccc2-c2ccccc12) C (O) =O
Molecular Formula
C22H25NO4
Molecular Weight
367.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-methyl-L-isoleucine
CAS Number138775-22-1
PubChem CID15433034
IUPAC Name(2S,3S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylpentanoic acid
Molecular FormulaC22H25NO4
Molecular Weight367.4
XLogP4.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity514
SMILES
CC[C@H](C)[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-4-14(2)20(21(24)25)23(3)22(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,4,13H2,1-3H3,(H,24,25)/t14-,20-/m0/s1
InChIKey
IQIOLCJHRZWOLS-XOBRGWDASA-N
Chemical Structure
2D Structure
2D structure of N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-methyl-L-isoleucine
CAS: 138775-22-1
CID: 15433034
Formula: C22H25NO4
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass367.17835828
Monoisotopic Mass367.17835828
Topological Polar Surface Area66.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes