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122864-94-2 | L-Glutamine, N-(4-nitrophenyl)-, monohydrate (9CI)
CAS No: 122864-94-2 Catalog No: AG000JN4 MDL No:MFCD00066286
Product Description
Catalog Number:
AG000JN4
Chemical Name:
L-Glutamine, N-(4-nitrophenyl)-, monohydrate (9CI)
CAS Number:
122864-94-2
Molecular Formula:
C11H15N3O6
Molecular Weight:
285.2533
MDL Number:
MFCD00066286
IUPAC Name:
(2S)-2-amino-5-(4-nitroanilino)-5-oxopentanoic acid;hydrate
InChI:
InChI=1S/C11H13N3O5.H2O/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17);1H2/t9-;/m0./s1
InChI Key:
HAFIAIPYVFZHSY-FVGYRXGTSA-N
SMILES:
NC(=O)CC[C@@H](C(=O)O)Nc1ccc(cc1)[N+](=O)[O-].O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
285.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
285.256g/mol
Monoisotopic Mass:
285.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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