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Fmoc-norArg (Pbf) -OH

CAT: 0127-OR1041731-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1041731-01Size:100 mg
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CAS Number
1313054-32-8
MDL Number
MFCD15142017
Purity
95%
Smiles
O=S(NC(NCC[C@@H](C(O)=O)NC(OCC1C2=CC=CC=C2C3=CC=CC=C31)=O)=N)(C4=C(C)C(C)=C(OC(C)(C5)C)C5=C4C)=O

Chemical Information

Fmoc-norArg(Pbf)-OH
CAS Number1313054-32-8
PubChem CID86810469
IUPAC Name(2S)-4-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Molecular FormulaC33H38N4O7S
Molecular Weight634.7
XLogP4.7
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity1200
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
InChI
InChI=1S/C33H38N4O7S/c1-18-19(2)29(20(3)25-16-33(4,5)44-28(18)25)45(41,42)37-31(34)35-15-14-27(30(38)39)36-32(40)43-17-26-23-12-8-6-10-21(23)22-11-7-9-13-24(22)26/h6-13,26-27H,14-17H2,1-5H3,(H,36,40)(H,38,39)(H3,34,35,37)/t27-/m0/s1
InChIKey
HEAUFWFESGQUMX-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of Fmoc-norArg(Pbf)-OH
CAS: 1313054-32-8
CID: 86810469
Formula: C33H38N4O7S
MW: 634.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.7
XLogP34.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass634.24612074
Monoisotopic Mass634.24612074
Topological Polar Surface Area178 Ų
Heavy Atom Count45
Formal Charge0
Complexity1200
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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