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252026-09-8 | D-Tryptophan, N-acetyl-4-bromo-
CAS No: 252026-09-8 Catalog No: AG002QW4 MDL No:
Product Description
Catalog Number:
AG002QW4
Chemical Name:
D-Tryptophan, N-acetyl-4-bromo-
CAS Number:
252026-09-8
Molecular Formula:
C13H13BrN2O3
Molecular Weight:
325.1579
IUPAC Name:
(2R)-2-acetamido-3-(4-bromo-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C13H13BrN2O3/c1-7(17)16-11(13(18)19)5-8-6-15-10-4-2-3-9(14)12(8)10/h2-4,6,11,15H,5H2,1H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChI Key:
ZHOLTNDTYQGXRY-LLVKDONJSA-N
SMILES:
CC(=O)N[C@@H](C(=O)O)Cc1c[nH]c2c1c(Br)ccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
324.011g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.162g/mol
Monoisotopic Mass:
324.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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