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Fmoc-Trp (5-Br) -OH

CAT: 0926-FF72539-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FF72539-01Size:250 mg
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CAS Number
460751-66-0
MDL Number
MFCD28166519
Smiles
C1=CC=C2C (=C1) C (C3=CC=CC=C32) COC (=O) N[C@@H] (CC4=CNC5=C4C=C (C=C5) Br) C (=O) O
Molecular Formula
C26H21BrN2O4
Molecular Weight
505.36 g/mol
Controlled
No

Chemical Information

5-Bromo-N-Fmoc-L-tryptophan
CAS Number460751-66-0
PubChem CID21308672
IUPAC Name(2S)-3-(5-bromo-1H-indol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Molecular FormulaC26H21BrN2O4
Molecular Weight505.4
XLogP5.5
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity698
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)Br)C(=O)O
InChI
InChI=1S/C26H21BrN2O4/c27-16-9-10-23-21(12-16)15(13-28-23)11-24(25(30)31)29-26(32)33-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12-13,22,24,28H,11,14H2,(H,29,32)(H,30,31)/t24-/m0/s1
InChIKey
OAIIUHJPRPJYHV-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-N-Fmoc-L-tryptophan
CAS: 460751-66-0
CID: 21308672
Formula: C26H21BrN2O4
MW: 505.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.4
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass504.06847
Monoisotopic Mass504.06847
Topological Polar Surface Area91.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity698
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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