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Fmoc-Arg (Pbf) -OH

CAT: 0127-BI5913-01Size: 10 gDry Ice: NoHazardous: No
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CAS Number
154445-77-9
MDL Number
MFCD00235804
Purity
98%
Smiles
Cc1c(C)c(c(C)c2CC(C)(C)Oc12)S(=O)(=O)NC(=N)NCCC[C@H](\N=C(/O)\OCC3c4ccccc4c5ccccc35)C(=O)O

Chemical Information

N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine

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CAS Number154445-77-9
PubChem CID11354259
IUPAC Name(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Molecular FormulaC34H40N4O7S
Molecular Weight648.8
XLogP5.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count46
Formal Charge0
Complexity1210
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
InChI
InChI=1S/C34H40N4O7S/c1-19-20(2)30(21(3)26-17-34(4,5)45-29(19)26)46(42,43)38-32(35)36-16-10-15-28(31(39)40)37-33(41)44-18-27-24-13-8-6-11-22(24)23-12-7-9-14-25(23)27/h6-9,11-14,27-28H,10,15-18H2,1-5H3,(H,37,41)(H,39,40)(H3,35,36,38)/t28-/m0/s1
InChIKey
HNICLNKVURBTKV-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine
CAS: 154445-77-9
CID: 11354259
Formula: C34H40N4O7S
MW: 648.8
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight648.8
XLogP35.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass648.26177080
Monoisotopic Mass648.26177080
Topological Polar Surface Area178 Ų
Heavy Atom Count46
Formal Charge0
Complexity1210
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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