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FMOC-(S)-3-AMINO-3-(3-CYANO-PHENYL)-PROPIONIC ACID

CAS No.:
507472-23-3
Catalog Number:
AG00DCBU
Molecular Formula:
C25H20N2O4
Molecular Weight:
412.4373
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Product Description
Catalog Number:
AG00DCBU
Chemical Name:
FMOC-(S)-3-AMINO-3-(3-CYANO-PHENYL)-PROPIONIC ACID
CAS Number:
507472-23-3
Molecular Formula:
C25H20N2O4
Molecular Weight:
412.4373
MDL Number:
MFCD03428005
IUPAC Name:
(3S)-3-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C25H20N2O4/c26-14-16-6-5-7-17(12-16)23(13-24(28)29)27-25(30)31-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
InChI Key:
VTDRHDRSYRSZJX-QHCPKHFHSA-N
SMILES:
N#Cc1cccc(c1)[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC(=O)O
Properties
Complexity:
679  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
412.142g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
412.445g/mol
Monoisotopic Mass:
412.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties