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Fmoc-His (Mtt) -OH

CAT: 0127-OR1042198-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
133367-34-7
MDL Number
MFCD00153358
Purity
96%
Smiles
CC1=CC=C(C=C1)C(N2C=C(C[C@@H](C(O)=O)NC(OCC3C4=CC=CC=C4C5=CC=CC=C53)=O)N=C2)(C6=CC=CC=C6)C7=CC=CC=C7

Chemical Information

Fmoc-His(Mtt)-OH
CAS Number133367-34-7
PubChem CID15138103
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(4-methylphenyl)-diphenylmethyl]imidazol-4-yl]propanoic acid
Molecular FormulaC41H35N3O4
Molecular Weight633.7
XLogP7.9
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count48
Formal Charge0
Complexity1020
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@@H](C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C41H35N3O4/c1-28-20-22-31(23-21-28)41(29-12-4-2-5-13-29,30-14-6-3-7-15-30)44-25-32(42-27-44)24-38(39(45)46)43-40(47)48-26-37-35-18-10-8-16-33(35)34-17-9-11-19-36(34)37/h2-23,25,27,37-38H,24,26H2,1H3,(H,43,47)(H,45,46)/t38-/m0/s1
InChIKey
MNOCIIYDYLYWEU-LHEWISCISA-N
Chemical Structure
2D Structure
2D structure of Fmoc-His(Mtt)-OH
CAS: 133367-34-7
CID: 15138103
Formula: C41H35N3O4
MW: 633.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight633.7
XLogP37.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass633.26275661
Monoisotopic Mass633.26275661
Topological Polar Surface Area93.5 Ų
Heavy Atom Count48
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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5-06586Fmoc-His(Mtt)-OH
sc-319875Fmoc-His (Mtt) -OH
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B-2190.0005Fmoc-His(1-Mtt)-OH
4018533.0025Fmoc-His (1-Mtt) -OH
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FF111319-01Fmoc-D-His (1-Mtt) -OH
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