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Fmoc-N-Me-Ile-OH

CAT: 0607-A7528-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-A7528-5000Size:5 g
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CAS Number
138775-22-1
Product Name Alternative
(2S,3S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylpentanoic acid
Field of Research
Amino Acids & Building Blocks N-Methyl Amino Acids
Purity
0.9876
Solubility
≥38.2 mg/mL in DMSO; ≥4.92 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
CCC(C)C(C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Molecular Formula
C22H25NO4
Molecular Weight
367.4
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

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...
View on PubChemRaw 3D data
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

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