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57096-11-4 | Boc-D-Lys(2-Cl-Z)-OH
CAS No: 57096-11-4 Catalog No: AG003OGM MDL No:MFCD00065585
Product Description
Catalog Number:
AG003OGM
Chemical Name:
Boc-D-Lys(2-Cl-Z)-OH
CAS Number:
57096-11-4
Molecular Formula:
C19H27ClN2O6
Molecular Weight:
414.8805
MDL Number:
MFCD00065585
IUPAC Name:
(2R)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI:
InChI=1S/C19H27ClN2O6/c1-19(2,3)28-18(26)22-15(16(23)24)10-6-7-11-21-17(25)27-12-13-8-4-5-9-14(13)20/h4-5,8-9,15H,6-7,10-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)/t15-/m1/s1
InChI Key:
ATUMDPHEFWGCJF-OAHLLOKOSA-N
SMILES:
O=C(OCc1ccccc1Cl)NCCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
414.156g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
414.883g/mol
Monoisotopic Mass:
414.156g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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