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150629-67-7 | L-Lysine, N6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 150629-67-7 Catalog No: AG001MS9 MDL No:MFCD00278818
Product Description
Catalog Number:
AG001MS9
Chemical Name:
L-Lysine, N6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
150629-67-7
Molecular Formula:
C31H36N2O6
Molecular Weight:
532.6273
MDL Number:
MFCD00278818
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]hexanoic acid
InChI:
InChI=1S/C31H36N2O6/c1-19(28-26(34)16-31(2,3)17-27(28)35)32-15-9-8-14-25(29(36)37)33-30(38)39-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,24-25,34H,8-9,14-18H2,1-3H3,(H,33,38)(H,36,37)/t25-/m0/s1
InChI Key:
AOHSSQNORWQENF-VWLOTQADSA-N
SMILES:
O=C(N[C@H](C(=O)O)CCCCNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
964
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
532.257g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
532.637g/mol
Monoisotopic Mass:
532.257g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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