Home Aminos Benzyl (s)-2-fmoc-amino-3-cyanopropanoate

Benzyl (s)-2-fmoc-amino-3-cyanopropanoate

CAS No.:
1464137-23-2
Catalog Number:
AG001E01
Molecular Formula:
C26H22N2O4
Molecular Weight:
426.4639
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Product Description
Catalog Number:
AG001E01
Chemical Name:
Benzyl (s)-2-fmoc-amino-3-cyanopropanoate
CAS Number:
1464137-23-2
Molecular Formula:
C26H22N2O4
Molecular Weight:
426.4639
MDL Number:
MFCD26407316
IUPAC Name:
benzyl (2S)-3-cyano-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C26H22N2O4/c27-15-14-24(25(29)31-16-18-8-2-1-3-9-18)28-26(30)32-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14,16-17H2,(H,28,30)/t24-/m0/s1
InChI Key:
UPUHOZJQHUIMOV-DEOSSOPVSA-N
SMILES:
N#CC[C@@H](C(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
673  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
426.158g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
426.472g/mol
Monoisotopic Mass:
426.158g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties