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125469-91-2 | 3-Bocamino-2,2-dibenzyl-propionic acid
CAS No: 125469-91-2 Catalog No: AG01FCLG MDL No:
Product Description
Catalog Number:
AG01FCLG
Chemical Name:
3-Bocamino-2,2-dibenzyl-propionic acid
CAS Number:
125469-91-2
Molecular Formula:
C22H27NO4
Molecular Weight:
369.4541
IUPAC Name:
2,2-dibenzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C22H27NO4/c1-21(2,3)27-20(26)23-16-22(19(24)25,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H,23,26)(H,24,25)
InChI Key:
IYOLPVWVYKXRSP-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccccc1)(Cc1ccccc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.461g/mol
Monoisotopic Mass:
369.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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