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1217723-28-8 | 1,2,4-Piperazinetricarboxylic acid, 4-(1,1-dimethylethyl) 1-(9H-fluoren-9-ylmethyl) ester, (2R)-
CAS No: 1217723-28-8 Catalog No: AG0015WS MDL No:
Product Description
Catalog Number:
AG0015WS
Chemical Name:
1,2,4-Piperazinetricarboxylic acid, 4-(1,1-dimethylethyl) 1-(9H-fluoren-9-ylmethyl) ester, (2R)-
CAS Number:
1217723-28-8
Molecular Formula:
C25H27N2O6-
Molecular Weight:
451.4917
IUPAC Name:
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
InChI:
InChI=1S/C25H28N2O6/c1-25(2,3)33-23(30)26-12-13-27(21(14-26)22(28)29)24(31)32-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,29)/t21-/m1/s1
InChI Key:
QXTDDEUDYKMSQN-OAQYLSRUSA-N
SMILES:
[O-]C(=O)[C@H]1CN(CCN1C(=O)OCC1c2ccccc2c2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
452.195g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
452.507g/mol
Monoisotopic Mass:
452.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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