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7690-79-1 | N-(o-nitrophenylthio)-L-isoleucine
CAS No: 7690-79-1 Catalog No: AG00GFQ7 MDL No:
Product Description
Catalog Number:
AG00GFQ7
Chemical Name:
N-(o-nitrophenylthio)-L-isoleucine
CAS Number:
7690-79-1
IUPAC Name:
(2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
InChI:
InChI=1S/C12H16N2O4S/c1-3-8(2)11(12(15)16)13-19-10-7-5-4-6-9(10)14(17)18/h4-8,11,13H,3H2,1-2H3,(H,15,16)/t8-,11-/m0/s1
InChI Key:
UFHDHBSNSXORPU-KWQFWETISA-N
EC Number:
231-700-6
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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