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Γ-Glutamyl-P-Nitroanilide
CAS: 7300-59-6 | C11H13N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7300-59-6
Molecular Formula:
C11H13N3O5
Molecular Mass:
267.24 g/mol
Names and Synonyms:
Γ-Glutamyl-P-Nitroanilide
L-Glutamine, N-(4-nitrophenyl)-
Glutaranilic acid, 2-amino-4′-nitro-, L-
N-(4-Nitrophenyl)-L-glutamine
γ-L-Glutamyl-p-nitroanilide
γ-Glutamyl-p-nitroanilide
L-Glutamic acid γ-p-nitroanilide
L-γ-Glutamyl-p-nitroanilide
L-Glutamyl-4-nitroanilide
γ-L-Glu-p-nitroanilide
(2S)-2-Azaniumyl-5-(4-nitroanilino)-5-oxopentanoate
(S)-2-Amino-5-((4-nitrophenyl)amino)-5-oxopentanoicacid
Identifiers:
SMILES:
N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
InChI:
InChI=1S/C11H13N3O5/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)/t9-/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.24 g/mol | CAS Common Chemistry |
| 267.241 g/mol | RDKit | |
| 267.08552051600003 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CCC(=O)NC1=CC=C(C=C1)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C11H13N3O5/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)/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WMZTYIRRBCGARG-VIFPVBQESA-N | CAS Common Chemistry |
| Name | γ-Glutamyl-p-nitroanilide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 135.56 Ų | RDKit |
| LogP | 0.7253999999999994 | RDKit |
| Molar Refractivity | 66.57130000000001 | RDKit |
