Home Carboxys 1-[(2S)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid

1-[(2S)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid

CAS No.:
2137082-30-3
Catalog Number:
AG01EKSA
Molecular Formula:
C26H28N2O5
Molecular Weight:
448.5109
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Product Description
Catalog Number:
AG01EKSA
Chemical Name:
1-[(2S)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid
CAS Number:
2137082-30-3
Molecular Formula:
C26H28N2O5
Molecular Weight:
448.5109
MDL Number:
MFCD31558860
IUPAC Name:
1-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C26H28N2O5/c29-24(27-14-11-17(12-15-27)25(30)31)23-10-5-13-28(23)26(32)33-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,17,22-23H,5,10-16H2,(H,30,31)/t23-/m0/s1
InChI Key:
XQSVLEABBOYLNZ-QHCPKHFHSA-N
SMILES:
OC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
727  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
448.2g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
448.519g/mol
Monoisotopic Mass:
448.2g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties