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1272755-33-5 | D-Lysine, N6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 1272755-33-5 Catalog No: AG000WTC MDL No:MFCD06796894
Product Description
Catalog Number:
AG000WTC
Chemical Name:
D-Lysine, N6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
1272755-33-5
Molecular Formula:
C34H42N2O6
Molecular Weight:
574.7071
MDL Number:
MFCD06796894
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]hexanoic acid
InChI:
InChI=1S/C34H42N2O6/c1-21(2)17-28(31-29(37)18-34(3,4)19-30(31)38)35-16-10-9-15-27(32(39)40)36-33(41)42-20-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h5-8,11-14,21,26-27,37H,9-10,15-20H2,1-4H3,(H,36,41)(H,39,40)/t27-/m1/s1
InChI Key:
LHJJUCZESVFWSO-HHHXNRCGSA-N
SMILES:
CC(CC(=C1C(=O)CC(CC1=O)(C)C)NCCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
574.304g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
574.718g/mol
Monoisotopic Mass:
574.304g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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