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Home > Nitro Compounds > 13155-43-6
13155-43-6 | L-Glutamic acid, N-[(2-nitrophenyl)thio]-, 5-(1,1-dimethylethyl) ester
CAS No: 13155-43-6 Catalog No: AG000ZEY MDL No:
Product Description
Catalog Number:
AG000ZEY
Chemical Name:
L-Glutamic acid, N-[(2-nitrophenyl)thio]-, 5-(1,1-dimethylethyl) ester
CAS Number:
13155-43-6
Molecular Formula:
C15H19N2O6S-
Molecular Weight:
355.3862
IUPAC Name:
(2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-nitrophenyl)sulfanylamino]-5-oxopentanoate
InChI:
InChI=1S/C15H20N2O6S/c1-15(2,3)23-13(18)9-8-10(14(19)20)16-24-12-7-5-4-6-11(12)17(21)22/h4-7,10,16H,8-9H2,1-3H3,(H,19,20)/p-1/t10-/m0/s1
InChI Key:
CRFKIZHKBXXSLB-JTQLQIEISA-M
SMILES:
O=C(OC(C)(C)C)CC[C@@H](C(=O)[O-])NSc1ccccc1[N+](=O)[O-]
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
355.096g/mol
Formal Charge:
-1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.385g/mol
Monoisotopic Mass:
355.096g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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