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Dde-Lys (Fmoc) -OH

CAT: 0127-OR36400-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR36400-01Size:250 mg
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CAS Number
156648-40-7
MDL Number
MFCD00467662
Purity
97%
Smiles
CC(=C1C(=O)CC(C)(C)CC1=O)N[C@@H](CCCCNC(=O)OCC2c3ccccc3c4ccccc24)C(=O)O

Chemical Information

L-Lysine, N2-(1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)-N6-((9H-fluoren-9-ylmethoxy)carbonyl)-
CAS Number156648-40-7
PubChem CID135742623
IUPAC Name(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]hexanoic acid
Molecular FormulaC31H36N2O6
Molecular Weight532.6
XLogP4.8
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity964
SMILES
CC(=N[C@@H](CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C31H36N2O6/c1-19(28-26(34)16-31(2,3)17-27(28)35)33-25(29(36)37)14-8-9-15-32-30(38)39-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,24-25,34H,8-9,14-18H2,1-3H3,(H,32,38)(H,36,37)/t25-/m0/s1
InChIKey
HJGADLBSAXYSSH-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of L-Lysine, N2-(1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)-N6-((9H-fluoren-9-ylmethoxy)carbonyl)-
CAS: 156648-40-7
CID: 135742623
Formula: C31H36N2O6
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass532.25733687
Monoisotopic Mass532.25733687
Topological Polar Surface Area125 Ų
Heavy Atom Count39
Formal Charge0
Complexity964
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

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