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104504-38-3,MFCD04039378
Catalog No.:AA008WSJ

104504-38-3 | N-Acetyl-α-cyano-p-benzoyl-D,L-phenylalanine, Ethyl Ester

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Technical Information
Catalog Number:
AA008WSJ
Chemical Name:
N-Acetyl-α-cyano-p-benzoyl-D,L-phenylalanine, Ethyl Ester
CAS Number:
104504-38-3
Molecular Formula:
C21H20N2O4
Molecular Weight:
364.3945
MDL Number:
MFCD04039378
SMILES:
CCOC(=O)C(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(C#N)NC(=O)C
Properties
Computed Properties
 
Complexity:
595  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.9  

Literature
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SDS
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Tags:104504-38-3 Molecular Formula|104504-38-3 MDL|104504-38-3 SMILES|104504-38-3 N-Acetyl-α-cyano-p-benzoyl-D,L-phenylalanine, Ethyl Ester