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1820574-93-3 | 1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester, (2R,4R)-
CAS No: 1820574-93-3 Catalog No: AG0023AX MDL No:
Product Description
Catalog Number:
AG0023AX
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester, (2R,4R)-
CAS Number:
1820574-93-3
Molecular Formula:
C25H27N2O6-
Molecular Weight:
451.4917
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C25H28N2O6/c1-25(2,3)33-23(30)26-15-12-21(22(28)29)27(13-15)24(31)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)
InChI Key:
FJEXPICLVWOJSE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CN([C@H](C1)C(=O)[O-])C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Isotope Atom Count:
0
Molecular Weight:
452.507g/mol
Monoisotopic Mass:
452.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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