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Home > Nitro Compounds > 78196-53-9
78196-53-9 | 4-Nitrobenzoylglycylglycine , 99%
CAS No: 78196-53-9 Catalog No: AG003LVB MDL No:MFCD00059183
Product Description
Catalog Number:
AG003LVB
Chemical Name:
4-Nitrobenzoylglycylglycine , 99%
CAS Number:
78196-53-9
Molecular Formula:
C11H11N3O6
Molecular Weight:
281.2215
MDL Number:
MFCD00059183
IUPAC Name:
2-[[2-[(4-nitrobenzoyl)amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C11H11N3O6/c15-9(12-6-10(16)17)5-13-11(18)7-1-3-8(4-2-7)14(19)20/h1-4H,5-6H2,(H,12,15)(H,13,18)(H,16,17)
InChI Key:
WQJHGFSTRONKLC-UHFFFAOYSA-N
SMILES:
O=C(NCC(=O)O)CNC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.224g/mol
Monoisotopic Mass:
281.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM). | Bioorganic & medicinal chemistry 20081201 |
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