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114498-17-8 | L-Glutamic acid, N-[(2-nitrophenyl)thio]-, 1-(carboxymethyl) 5-ethyl ester
CAS No: 114498-17-8 Catalog No: AG000EK5 MDL No:
Product Description
Catalog Number:
AG000EK5
Chemical Name:
L-Glutamic acid, N-[(2-nitrophenyl)thio]-, 1-(carboxymethyl) 5-ethyl ester
CAS Number:
114498-17-8
Molecular Formula:
C15H18N2O8S
Molecular Weight:
386.3770
IUPAC Name:
2-[5-ethoxy-2-[(2-nitrophenyl)sulfanylamino]-5-oxopentanoyl]oxyacetic acid
InChI:
InChI=1S/C15H18N2O8S/c1-2-24-14(20)8-7-10(15(21)25-9-13(18)19)16-26-12-6-4-3-5-11(12)17(22)23/h3-6,10,16H,2,7-9H2,1H3,(H,18,19)
InChI Key:
VZLDNQKWICMRIK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC[C@@H](C(=O)OCC(=O)O)NSc1ccccc1[N+](=O)[O-]
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.078g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.375g/mol
Monoisotopic Mass:
386.078g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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