Home Other Building Blocks N-benzoyl-L-phenylalanine methyl ester

N-benzoyl-L-phenylalanine methyl ester

CAS No.:
3005-61-6
Catalog Number:
AG00BJ2Z
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
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Product Description
Catalog Number:
AG00BJ2Z
Chemical Name:
N-benzoyl-L-phenylalanine methyl ester
CAS Number:
3005-61-6
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
MDL Number:
MFCD17019317
IUPAC Name:
methyl (2S)-2-benzamido-3-phenylpropanoate
InChI:
InChI=1S/C17H17NO3/c1-21-17(20)15(12-13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,19)/t15-/m0/s1
InChI Key:
BRQQPHKRRCUYLA-HNNXBMFYSA-N
SMILES:
COC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccccc1
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties