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Fmoc-ile-osu

CAT: 0127-OR964462-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR964462-01Size:5 g
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CAS Number
121697-35-6
MDL Number
MFCD00190886
Purity
95%
Smiles
CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)ON4C(=O)CCC4=O

Chemical Information

Fmoc-ile-OSu
CAS Number121697-35-6
PubChem CID14334723
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
Molecular FormulaC25H26N2O6
Molecular Weight450.5
XLogP3.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity732
SMILES
CC[C@H](C)[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H26N2O6/c1-3-15(2)23(24(30)33-27-21(28)12-13-22(27)29)26-25(31)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,23H,3,12-14H2,1-2H3,(H,26,31)/t15-,23-/m0/s1
InChIKey
XPCMQYXXCGKJHT-WNSKOXEYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-ile-OSu
CAS: 121697-35-6
CID: 14334723
Formula: C25H26N2O6
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass450.17908655
Monoisotopic Mass450.17908655
Topological Polar Surface Area102 Ų
Heavy Atom Count33
Formal Charge0
Complexity732
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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