Home Carbonyls L-Phenylalanine, 4-cyano-N-[(phenylmethoxy)carbonyl]-

L-Phenylalanine, 4-cyano-N-[(phenylmethoxy)carbonyl]-

CAS No.:
131669-07-3
Catalog Number:
AG000ZK9
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
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Product Description
Catalog Number:
AG000ZK9
Chemical Name:
L-Phenylalanine, 4-cyano-N-[(phenylmethoxy)carbonyl]-
CAS Number:
131669-07-3
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
MDL Number:
MFCD02094456
IUPAC Name:
(2S)-3-(4-cyanophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C18H16N2O4/c19-11-14-8-6-13(7-9-14)10-16(17(21)22)20-18(23)24-12-15-4-2-1-3-5-15/h1-9,16H,10,12H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChI Key:
HNPWZDAPPQRAAF-INIZCTEOSA-N
SMILES:
N#Cc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Properties
Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
324.111g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
324.336g/mol
Monoisotopic Mass:
324.111g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties