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21947-98-8 | N-Boc-S-Trityl-L-cysteine
CAS No: 21947-98-8 Catalog No: AG0038VK MDL No:MFCD00038251
Product Description
Catalog Number:
AG0038VK
Chemical Name:
N-Boc-S-Trityl-L-cysteine
CAS Number:
21947-98-8
Molecular Formula:
C27H29NO4S
Molecular Weight:
463.5885
MDL Number:
MFCD00038251
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoic acid
InChI:
InChI=1S/C27H29NO4S/c1-26(2,3)32-25(31)28-23(24(29)30)19-33-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,28,31)(H,29,30)/t23-/m0/s1
InChI Key:
JDTOWOURWBDELG-QHCPKHFHSA-N
SMILES:
OC(=O)[C@@H](NC(=O)OC(C)(C)C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
EC Number:
244-674-6
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
463.182g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
463.592g/mol
Monoisotopic Mass:
463.182g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of L-cysteine derivatives as mitotic kinesin Eg5 inhibitors. | Bioorganic & medicinal chemistry letters 20070715 |
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