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252029-00-8 | 1,4-Piperidinedicarboxylic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester
CAS No: 252029-00-8 Catalog No: AG002QW3 MDL No:MFCD02259485
Product Description
Catalog Number:
AG002QW3
Chemical Name:
1,4-Piperidinedicarboxylic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester
CAS Number:
252029-00-8
Molecular Formula:
C36H31N2O6-
Molecular Weight:
587.6411
MDL Number:
MFCD02259485
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylic acid
InChI:
InChI=1S/C36H32N2O6/c39-33(40)36(37-34(41)43-21-31-27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)17-19-38(20-18-36)35(42)44-22-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,31-32H,17-22H2,(H,37,41)(H,39,40)
InChI Key:
YCGIGJPLYCPSOP-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2)C(=O)[O-])OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.226g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
588.66g/mol
Monoisotopic Mass:
588.226g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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