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133083-36-0 | D-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI)
CAS No: 133083-36-0 Catalog No: AG00147T MDL No:
Product Description
Catalog Number:
AG00147T
Chemical Name:
D-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI)
CAS Number:
133083-36-0
Molecular Formula:
C32H31F5N2O6
Molecular Weight:
634.5904
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
InChI:
InChI=1S/C32H31F5N2O6/c1-32(2,3)45-30(41)38-15-9-8-14-22(29(40)44-28-26(36)24(34)23(33)25(35)27(28)37)39-31(42)43-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,38,41)(H,39,42)/t22-/m1/s1
InChI Key:
HLNVSYQQDWNJRI-JOCHJYFZSA-N
SMILES:
O=C(N[C@@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)CCCCNC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
979
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
634.21g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
634.6g/mol
Monoisotopic Mass:
634.21g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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