Home Carboxys 3-{[(tert-butoxy)carbonyl]amino}-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-3-carboxylic acid

3-{[(tert-butoxy)carbonyl]amino}-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-3-carboxylic acid

CAS No.:
1589084-56-9
Catalog Number:
AG01BEUY
Molecular Formula:
C25H28N2O6
Molecular Weight:
452.4996
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Product Description
Catalog Number:
AG01BEUY
Chemical Name:
3-{[(tert-butoxy)carbonyl]amino}-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-3-carboxylic acid
CAS Number:
1589084-56-9
Molecular Formula:
C25H28N2O6
Molecular Weight:
452.4996
MDL Number:
MFCD28118441
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C25H28N2O6/c1-24(2,3)33-22(30)26-25(21(28)29)12-13-27(15-25)23(31)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,26,30)(H,28,29)
InChI Key:
GBDRLSCSVPGBDC-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCN(C1)C(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O)OC(C)(C)C
Properties
Complexity:
743  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties