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Home > Pyridines > 149490-61-9
149490-61-9 | L-Tyrosine, N-(butylsulfonyl)-O-[4-(4-pyridinyl)butyl]-
CAS No: 149490-61-9 Catalog No: AG001LRH MDL No:MFCD07368626
Product Description
Catalog Number:
AG001LRH
Chemical Name:
L-Tyrosine, N-(butylsulfonyl)-O-[4-(4-pyridinyl)butyl]-
CAS Number:
149490-61-9
Molecular Formula:
C22H30N2O5S
Molecular Weight:
434.5490
MDL Number:
MFCD07368626
IUPAC Name:
(2S)-2-(butylsulfonylamino)-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoic acid
InChI:
InChI=1S/C22H30N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-14,21,24H,2-6,15-17H2,1H3,(H,25,26)/t21-/m0/s1
InChI Key:
FRFFSBHFSQTHRE-NRFANRHFSA-N
SMILES:
CCCCS(=O)(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCCCCc1ccncc1
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
434.188g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
434.551g/mol
Monoisotopic Mass:
434.188g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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