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132388-64-8 | L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-, 2,3,4,5,6-pentafluorophenyl ester
CAS No: 132388-64-8 Catalog No: AG0010MN MDL No:MFCD00153373
Product Description
Catalog Number:
AG0010MN
Chemical Name:
L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
132388-64-8
Molecular Formula:
C44H31F5N2O5
Molecular Weight:
762.7194
MDL Number:
MFCD00153373
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoate
InChI:
InChI=1S/C44H31F5N2O5/c45-36-37(46)39(48)41(40(49)38(36)47)56-42(53)34(50-43(54)55-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)24-35(52)51-44(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,50,54)(H,51,52)/t34-/m0/s1
InChI Key:
YSONQVIVMGOLBG-UMSFTDKQSA-N
SMILES:
NC(=O)C[C@H](N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC1c2ccccc2c2c1cccc2)C(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
1240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
762.215g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
762.733g/mol
Monoisotopic Mass:
762.215g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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