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Home Sulfos N-[(4-Methylphenyl)sulfonyl]-l-tryptophan

N-[(4-Methylphenyl)sulfonyl]-l-tryptophan

CAS No.:
67850-42-4
Catalog Number:
AG006IJ8
Molecular Formula:
C18H18N2O4S
Molecular Weight:
358.4115
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$225
- +
10g
95%
In Stock USA
United States
$350
- +
25g
95%
In Stock USA
United States
$600
- +
100g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG006IJ8
Chemical Name:
N-[(4-Methylphenyl)sulfonyl]-l-tryptophan
CAS Number:
67850-42-4
Molecular Formula:
C18H18N2O4S
Molecular Weight:
358.4115
MDL Number:
MFCD28142435
IUPAC Name:
(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C18H18N2O4S/c1-12-6-8-14(9-7-12)25(23,24)20-17(18(21)22)10-13-11-19-16-5-3-2-4-15(13)16/h2-9,11,17,19-20H,10H2,1H3,(H,21,22)/t17-/m0/s1
InChI Key:
LFRLEBFHLCJPDU-KRWDZBQOSA-N
SMILES:
OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)Cc1c[nH]c2c1cccc2
Properties
Complexity:
566  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
358.099g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
358.412g/mol
Monoisotopic Mass:
358.099g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
(2S)-3-(1H-Indol-3-yl)-2-(4-methyl-benzene-sulfonamido)-propionic acid monohydrate. Acta crystallographica. Section E, Structure reports online 20110901
Identification of indole derivatives exclusively interfering with a G protein-independent signaling pathway of the prostaglandin D2 receptor CRTH2. Molecular pharmacology 20050801
Roles of C-H...O=S and pi-stacking interactions in the 2-bromoacrolein complex with N-tosyl-(S)-tryptophan-derived oxazaborolidinone catalyst. The Journal of organic chemistry 20050708
Properties