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Fmoc-Nle-Nle-OH

CAT: 0926-FF111315-01Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0926-FF111315-01Size:1000 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
251316-91-3
MDL Number
MFCD00237663
Smiles
CCCC[C@@H] (C (=O) N[C@@H] (CCCC) C (=O) O) NC (=O) OCC1C2=CC=CC=C2C3=CC=CC=C13
Molecular Formula
C27H34N2O5
Molecular Weight
466.57 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Fmoc-Nle-Nle-OH
CAS Number251316-91-3
PubChem CID92489508
IUPAC Name(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]hexanoic acid
Molecular FormulaC27H34N2O5
Molecular Weight466.6
XLogP5.7
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity662
SMILES
CCCC[C@@H](C(=O)N[C@@H](CCCC)C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C27H34N2O5/c1-3-5-15-23(25(30)28-24(26(31)32)16-6-4-2)29-27(33)34-17-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,22-24H,3-6,15-17H2,1-2H3,(H,28,30)(H,29,33)(H,31,32)/t23-,24-/m0/s1
InChIKey
ZKMWKHIVYXYTMB-ZEQRLZLVSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Nle-Nle-OH
CAS: 251316-91-3
CID: 92489508
Formula: C27H34N2O5
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP35.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass466.24677219
Monoisotopic Mass466.24677219
Topological Polar Surface Area105 Ų
Heavy Atom Count34
Formal Charge0
Complexity662
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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