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

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

CAS No.:
1803609-23-5
Catalog Number:
AG01BEV5
Molecular Formula:
C27H32N2O6
Molecular Weight:
480.5528
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Product Description
Catalog Number:
AG01BEV5
Chemical Name:
3-({[(tert-butoxy)carbonyl]amino}methyl)-1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
CAS Number:
1803609-23-5
Molecular Formula:
C27H32N2O6
Molecular Weight:
480.5528
MDL Number:
MFCD28118444
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C27H32N2O6/c1-26(2,3)35-24(32)28-15-17-12-13-27(14-17,23(30)31)29-25(33)34-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22H,12-16H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)
InChI Key:
MYCQIHLHHFMJLM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCC(C1)(NC(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O
Properties
Complexity:
773  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.226g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
480.561g/mol
Monoisotopic Mass:
480.226g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties