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Fmoc-Cys(STmp)-OH

CAS No.:
1403834-74-1
Catalog Number:
AG009DJR
Molecular Formula:
C27H27NO7S2
Molecular Weight:
541.6358
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Product Description
Catalog Number:
AG009DJR
Chemical Name:
Fmoc-Cys(STmp)-OH
CAS Number:
1403834-74-1
Molecular Formula:
C27H27NO7S2
Molecular Weight:
541.6358
MDL Number:
MFCD27957369
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2,4,6-trimethoxyphenyl)disulfanyl]propanoic acid
InChI:
InChI=1S/C27H27NO7S2/c1-32-16-12-23(33-2)25(24(13-16)34-3)37-36-15-22(26(29)30)28-27(31)35-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-13,21-22H,14-15H2,1-3H3,(H,28,31)(H,29,30)/t22-/m0/s1
InChI Key:
GADCBXMSWHDNAU-QFIPXVFZSA-N
SMILES:
COc1cc(OC)cc(c1SSC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)OC
Properties
Complexity:
722  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
541.123g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
541.633g/mol
Monoisotopic Mass:
541.123g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties