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Glycyl-L-Glutamic Acid
CAS: 7412-78-4 | C7H12N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7412-78-4
Molecular Formula:
C7H12N2O5
Molecular Mass:
204.18 g/mol
Names and Synonyms:
Glycyl-L-Glutamic Acid
L-Glutamic acid, glycyl-
Glutamic acid, N-glycyl-, L-
L-Glutamic acid, N-glycyl-
Glycyl-L-glutamic acid
Glycylglutamic acid
NSC 203441
437: PN: WO2005081628 SEQID: 1546 claimed protein
534: PN: WO2006090389 SEQID: 550 unclaimed protein
44: PN: EP2161028 PAGE: 10 claimed protein
L-Selectin (human clone MMPLNHR_P2 fragment)
70: PN: US20100075891 SEQID: 70 claimed protein
63: PN: WO2014063098 TABLE: 5 claimed sequence
15: PN: WO2011146121 PAGE: 113 claimed sequence
112: PN: WO2012050923 SEQID: 139 unclaimed protein
DNA (human amyloid Aβ(1-42)-specifying)
170: PN: US20130123467 SEQID: 209 claimed protein
78: PN: WO2014170713 SEQID: 184 claimed protein
(2S)-2-(2-Aminoacetamido)pentanedioic acid
(2S)-2-[(2-Aminoacetyl)amino]pentanedioic acid
9: PN: KR20200105339 PAGE: 3 claimed sequence
14: PN: WO2021055880 SEQID: 15 claimed protein
Identifiers:
SMILES:
NCC(O)=N[C@@H](CCC(=O)O)C(=O)O
InChI:
InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
Key Properties
Melting Point
160 °C @ Solvent: Water, Ethanol
CAS Common Chemistry
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 | 204.18 g/mol | CAS Common Chemistry |
| 204.182 g/mol | RDKit | |
| 204.074621484 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(NC(=O)CN)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IEFJWDNGDZAYNZ-BYPYZUCNSA-N | CAS Common Chemistry |
| Melting Point | 160 °C @ Solvent: Water, Ethanol | CAS Common Chemistry |
| Name | Glycyl-L-glutamic acid | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 133.21 Ų | RDKit |
| LogP | -0.7804000000000004 | RDKit |
| Molar Refractivity | 47.41180000000001 | RDKit |
