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87579-17-7 | L-Tyrosine, O-methyl-N-(1-oxo-3-phenylpropyl)-
CAS No: 87579-17-7 Catalog No: AG004MC4 MDL No:
Product Description
Catalog Number:
AG004MC4
Chemical Name:
L-Tyrosine, O-methyl-N-(1-oxo-3-phenylpropyl)-
CAS Number:
87579-17-7
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
IUPAC Name:
(2S)-3-(4-methoxyphenyl)-2-(3-phenylpropanoylamino)propanoic acid
InChI:
InChI=1S/C19H21NO4/c1-24-16-10-7-15(8-11-16)13-17(19(22)23)20-18(21)12-9-14-5-3-2-4-6-14/h2-8,10-11,17H,9,12-13H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1
InChI Key:
AINBTNQRJFXQKK-KRWDZBQOSA-N
SMILES:
COc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCc1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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