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Fmoc-D-Dap (Dde) -OH

CAT: 0024-sc-294804ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-294804ASize:5 g
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CAS Number
210830-03-8

Chemical Information

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)propanoic acid
CAS Number210830-03-8
PubChem CID135742643
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]propanoic acid
Molecular FormulaC28H30N2O6
Molecular Weight490.5
XLogP3.6
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity916
SMILES
CC(=NC[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/C28H30N2O6/c1-16(25-23(31)12-28(2,3)13-24(25)32)29-14-22(26(33)34)30-27(35)36-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22,31H,12-15H2,1-3H3,(H,30,35)(H,33,34)/t22-/m1/s1
InChIKey
GIPBZQFNSMWQIL-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)propanoic acid
CAS: 210830-03-8
CID: 135742643
Formula: C28H30N2O6
MW: 490.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight490.5
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass490.21038668
Monoisotopic Mass490.21038668
Topological Polar Surface Area125 Ų
Heavy Atom Count36
Formal Charge0
Complexity916
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