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126637-66-9 | L-Cysteine, N-acetyl-S-(2,2-dibromo-1,1-difluoroethyl)-
CAS No: 126637-66-9 Catalog No: AG000T0U MDL No:
Product Description
Catalog Number:
AG000T0U
Chemical Name:
L-Cysteine, N-acetyl-S-(2,2-dibromo-1,1-difluoroethyl)-
CAS Number:
126637-66-9
Molecular Formula:
C7H9Br2F2NO3S
Molecular Weight:
385.0211
IUPAC Name:
(2R)-2-acetamido-3-(2,2-dibromo-1,1-difluoroethyl)sulfanylpropanoic acid
InChI:
InChI=1S/C7H9Br2F2NO3S/c1-3(13)12-4(5(14)15)2-16-7(10,11)6(8)9/h4,6H,2H2,1H3,(H,12,13)(H,14,15)/t4-/m0/s1
InChI Key:
JHEXRHIUZWUQKX-BYPYZUCNSA-N
SMILES:
BrC(C(SC[C@@H](C(=O)O)NC(=O)C)(F)F)Br
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
384.862g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.018g/mol
Monoisotopic Mass:
382.864g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Mercapturic acids (N-acetylcysteine S-conjugates) as endogenous substrates for the renal organic anion transporter-1. | Molecular pharmacology 20011101 |
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