Home Carbonyls N-benzyloxycarbonyl-DL-tyrosine

N-benzyloxycarbonyl-DL-tyrosine

CAS No.:
5618-98-4
Catalog Number:
AG00E174
Molecular Formula:
C17H17NO5
Molecular Weight:
315.3206
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Product Description
Catalog Number:
AG00E174
Chemical Name:
N-benzyloxycarbonyl-DL-tyrosine
CAS Number:
5618-98-4
Molecular Formula:
C17H17NO5
Molecular Weight:
315.3206
MDL Number:
MFCD00394199
IUPAC Name:
3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)
InChI Key:
MCRMUCXATQAAMN-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)Cc1ccc(cc1)O)OCc1ccccc1
EC Number:
227-046-6
NSC Number:
88488
Properties
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.111g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
315.325g/mol
Monoisotopic Mass:
315.111g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties