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Fmoc-Lys (Adpoc) -OH

CAT: 0926-FF111317-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
182250-66-4
MDL Number
MFCD00237024
Smiles
CC (C) (C12CC3CC (C1) CC (C3) C2) OC (=O) NCCCC[C@@H] (C (=O) O) NC (=O) OCC4C5=CC=CC=C5C6=CC=CC=C46
Molecular Formula
C35H44N2O6
Molecular Weight
588.73 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Fmoc-Lys(Adpoc)-OH
CAS Number182250-66-4
PubChem CID98048550
IUPAC Name(2S)-6-[2-(1-adamantyl)propan-2-yloxycarbonylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
Molecular FormulaC35H44N2O6
Molecular Weight588.7
XLogP7
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity965
SMILES
CC(C)(C12CC3CC(C1)CC(C3)C2)OC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C35H44N2O6/c1-34(2,35-18-22-15-23(19-35)17-24(16-22)20-35)43-32(40)36-14-8-7-13-30(31(38)39)37-33(41)42-21-29-27-11-5-3-9-25(27)26-10-4-6-12-28(26)29/h3-6,9-12,22-24,29-30H,7-8,13-21H2,1-2H3,(H,36,40)(H,37,41)(H,38,39)/t22?,23?,24?,30-,35?/m0/s1
InChIKey
BIRNQHZMNQDGPI-DVAIHDFDSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Lys(Adpoc)-OH
CAS: 182250-66-4
CID: 98048550
Formula: C35H44N2O6
MW: 588.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight588.7
XLogP37
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass588.31993713
Monoisotopic Mass588.31993713
Topological Polar Surface Area114 Ų
Heavy Atom Count43
Formal Charge0
Complexity965
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes