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204190-67-0 | D-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 204190-67-0 Catalog No: AG0029C4 MDL No:MFCD00273411
Product Description
Catalog Number:
AG0029C4
Chemical Name:
D-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
204190-67-0
Molecular Formula:
C28H53N3O6
Molecular Weight:
527.7369
MDL Number:
MFCD00273411
IUPAC Name:
(2R)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-cyclohexylcyclohexanamine
InChI:
InChI=1S/C16H30N2O6.C12H23N/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20);11-13H,1-10H2/t11-;/m1./s1
InChI Key:
HRLHJTYAMCGERD-RFVHGSKJSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.O=C(OC(C)(C)C)NCCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
527.393g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
527.747g/mol
Monoisotopic Mass:
527.393g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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