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251103-43-2 | L-Lysine, N6-[2-[[(1,1-dimethylethoxy)carbonyl]methylamino]benzoyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 251103-43-2 Catalog No: AG002QJ4 MDL No:
Product Description
Catalog Number:
AG002QJ4
Chemical Name:
L-Lysine, N6-[2-[[(1,1-dimethylethoxy)carbonyl]methylamino]benzoyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
251103-43-2
Molecular Formula:
C34H39N3O7
Molecular Weight:
601.6894
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]hexanoic acid
InChI:
InChI=1S/C34H39N3O7/c1-34(2,3)44-33(42)37(4)29-19-10-9-17-26(29)30(38)35-20-12-11-18-28(31(39)40)36-32(41)43-21-27-24-15-7-5-13-22(24)23-14-6-8-16-25(23)27/h5-10,13-17,19,27-28H,11-12,18,20-21H2,1-4H3,(H,35,38)(H,36,41)(H,39,40)/t28-/m0/s1
InChI Key:
KQKHWDVZCOIJQI-NDEPHWFRSA-N
SMILES:
O=C(N[C@H](C(=O)O)CCCCNC(=O)c1ccccc1NCC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
976
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
601.279g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
601.7g/mol
Monoisotopic Mass:
601.279g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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