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154445-77-9 | Fmoc-Arg(Pbf)-OH
CAS No: 154445-77-9 Catalog No: AG0039MD MDL No:MFCD00235804
Product Description
Catalog Number:
AG0039MD
Chemical Name:
Fmoc-Arg(Pbf)-OH
CAS Number:
154445-77-9
Molecular Formula:
C34H40N4O7S
Molecular Weight:
648.7690
MDL Number:
MFCD00235804
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
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
InChI Key:
HNICLNKVURBTKV-NDEPHWFRSA-N
SMILES:
O=C(N[C@H](C(=O)O)CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)OCC1c2ccccc2c2c1cccc2
EC Number:
604-954-4
Properties
Complexity:
1210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
648.262g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
648.775g/mol
Monoisotopic Mass:
648.262g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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