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55592-85-3 | 2,6-Bis(((benzyloxy);carbonyl);amino);hexanoic acid
CAS No: 55592-85-3 Catalog No: AG003VDJ MDL No:MFCD00069644
Product Description
Catalog Number:
AG003VDJ
Chemical Name:
2,6-Bis(((benzyloxy);carbonyl);amino);hexanoic acid
CAS Number:
55592-85-3
Molecular Formula:
C22H26N2O6
Molecular Weight:
414.4516
MDL Number:
MFCD00069644
IUPAC Name:
2,6-bis(phenylmethoxycarbonylamino)hexanoic acid
InChI:
InChI=1S/C22H26N2O6/c25-20(26)19(24-22(28)30-16-18-11-5-2-6-12-18)13-7-8-14-23-21(27)29-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,26)
InChI Key:
BLZXFNUZFTZCFD-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCCCCC(C(=O)O)NC(=O)OCc1ccccc1
EC Number:
206-971-9
NSC Number:
88474
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.179g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
414.458g/mol
Monoisotopic Mass:
414.179g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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