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144494-62-2 | L-Tyrosine, O-(6-aminohexyl)-N-(butylsulfonyl)-
CAS No: 144494-62-2 Catalog No: AG001JMF MDL No:
Product Description
Catalog Number:
AG001JMF
Chemical Name:
L-Tyrosine, O-(6-aminohexyl)-N-(butylsulfonyl)-
CAS Number:
144494-62-2
Molecular Formula:
C19H32N2O5S
Molecular Weight:
400.5328
IUPAC Name:
(2S)-3-[4-(6-aminohexoxy)phenyl]-2-(butylsulfonylamino)propanoic acid
InChI:
InChI=1S/C19H32N2O5S/c1-2-3-14-27(24,25)21-18(19(22)23)15-16-8-10-17(11-9-16)26-13-7-5-4-6-12-20/h8-11,18,21H,2-7,12-15,20H2,1H3,(H,22,23)/t18-/m0/s1
InChI Key:
XGOJDBSLSPIZAZ-SFHVURJKSA-N
SMILES:
CCCCS(=O)(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCCCCCCN
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
400.203g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
400.534g/mol
Monoisotopic Mass:
400.203g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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