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Fmoc-His (Clt) -Oh

CAT: 0127-OR1029246-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1029246-01Size:250 mg
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CAS Number
224032-19-3
Synonyms
(2S) -3-[1-[ (2-chlorophenyl) -diphenylmethyl]imidazol-4-yl]-2- (9H-fluoren-9-ylmethoxycarbonylamino) propanoic acid
Purity
98%
Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=C(N=C4)C[C@@H](C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

Chemical Information

Fmoc-His(Clt)-OH
CAS Number224032-19-3
PubChem CID51340496
IUPAC Name(2S)-3-[1-[(2-chlorophenyl)-diphenylmethyl]imidazol-4-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Molecular FormulaC40H32ClN3O4
Molecular Weight654.1
XLogP8.2
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count48
Formal Charge0
Complexity1040
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=C(N=C4)C[C@@H](C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C40H32ClN3O4/c41-36-22-12-11-21-35(36)40(27-13-3-1-4-14-27,28-15-5-2-6-16-28)44-24-29(42-26-44)23-37(38(45)46)43-39(47)48-25-34-32-19-9-7-17-30(32)31-18-8-10-20-33(31)34/h1-22,24,26,34,37H,23,25H2,(H,43,47)(H,45,46)/t37-/m0/s1
InChIKey
SYGADBVEKBWUKO-QNGWXLTQSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-His(Clt)-OH
CAS: 224032-19-3
CID: 51340496
Formula: C40H32ClN3O4
MW: 654.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.1
XLogP38.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass653.2081342
Monoisotopic Mass653.2081342
Topological Polar Surface Area93.5 Ų
Heavy Atom Count48
Formal Charge0
Complexity1040
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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