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87579-08-6 | L-Tyrosine, N-(1-oxo-3-phenyl-2-propynyl)-
CAS No: 87579-08-6 Catalog No: AG004QZC MDL No:
Product Description
Catalog Number:
AG004QZC
Chemical Name:
L-Tyrosine, N-(1-oxo-3-phenyl-2-propynyl)-
CAS Number:
87579-08-6
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-(3-phenylprop-2-ynoylamino)propanoic acid
InChI:
InChI=1S/C18H15NO4/c20-15-9-6-14(7-10-15)12-16(18(22)23)19-17(21)11-8-13-4-2-1-3-5-13/h1-7,9-10,16,20H,12H2,(H,19,21)(H,22,23)/t16-/m0/s1
InChI Key:
KQTMANJZOUZWLW-INIZCTEOSA-N
SMILES:
OC(=O)[C@@H](NC(=O)C#Cc1ccccc1)Cc1ccc(cc1)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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