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Fmoc-D-Lys (ivDde) -OH

CAT: 0926-FF50480-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
1272755-33-5
Synonyms
N-α-Fmoc-N-epsilon-1- (4,4-dimethyl-2,6-dioxocyclohex-1-ylidene) -3-methylbutyl-D-lysine
MDL Number
MFCD06796894
Smiles
CC (C) CC (=NCCCC[C@H] (C (=O) O) NC (=O) OCC1C2=CC=CC=C2C3=CC=CC=C13) C4=C (CC (CC4=O) (C) C) O
Molecular Formula
C34H42N2O6
Molecular Weight
574.71 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Fmoc-D-Lys(Ivdde)-OH
CAS Number1272755-33-5
PubChem CID135742620
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]hexanoic acid
Molecular FormulaC34H42N2O6
Molecular Weight574.7
XLogP5.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count42
Formal Charge0
Complexity1020
SMILES
CC(C)CC(=NCCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C34H42N2O6/c1-21(2)17-28(31-29(37)18-34(3,4)19-30(31)38)35-16-10-9-15-27(32(39)40)36-33(41)42-20-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h5-8,11-14,21,26-27,37H,9-10,15-20H2,1-4H3,(H,36,41)(H,39,40)/t27-/m1/s1
InChIKey
LHJJUCZESVFWSO-HHHXNRCGSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-D-Lys(Ivdde)-OH
CAS: 1272755-33-5
CID: 135742620
Formula: C34H42N2O6
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass574.30428706
Monoisotopic Mass574.30428706
Topological Polar Surface Area125 Ų
Heavy Atom Count42
Formal Charge0
Complexity1020
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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