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Glycylglycylglycine
CAS: 556-33-2 | C6H11N3O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
556-33-2
Molecular Formula:
C6H11N3O4
Molecular Mass:
189.17 g/mol
Names and Synonyms:
Glycylglycylglycine
Glycine, glycylglycyl-
Glycine, N-(N-glycylglycyl)-
Glycylglycylglycine
Triglycine
Diglycylglycine
N-(N′-Glycylglycyl)glycine
NSC 46707
Glycine tripeptide
Adenosine deaminase 2 (synthetic human derivative sequence variant)
24: PN: WO2019213446 SEQID: 63 claimed protein
58: PN: WO2019213442 SEQID: 63 claimed protein
12: PN: WO2020022782 SEQID: 12 claimed protein
2-[2-(2-Aminoacetamido)acetamido]acetic acid
2-[[2-[(2-Azaniumylacetyl)amino]acetyl]amino]acetate
8: PN: WO2020135804 PAGE: 42 claimed sequence
3: PN: WO2020191289 PAGE: 118 claimed sequence
2: PN: WO2021011474 SEQID: 15 claimed protein
3: PN: KR20200139635 PAGE: 3 claimed sequence
18: PN: WO2021026491 SEQID: 21 claimed protein
23: PN: WO2021030484 SEQID: 23 claimed protein
15: PN: WO2021041934 SEQID: 68 claimed protein
Identifiers:
SMILES:
NCC(O)=NCC(O)=NCC(=O)O
InChI:
InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
Key Properties
Melting Point
206 °C (decomp)
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 | 189.17 g/mol | CAS Common Chemistry |
| 189.17099999999996 g/mol | RDKit | |
| 189.074955832 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CNC(=O)CNC(=O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=XKUKSGPZAADMRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206 °C (decomp) | CAS Common Chemistry |
| Name | Glycylglycylglycine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 128.5 Ų | RDKit |
| LogP | -1.0572999999999995 | RDKit |
| Molar Refractivity | 46.55180000000001 | RDKit |
