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Leu-Gly-Gly
CAS: 1187-50-4 | C10H19N3O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1187-50-4
Molecular Formula:
C10H19N3O4
Molecular Mass:
245.28 g/mol
Names and Synonyms:
Leu-Gly-Gly
Glycine, L-leucylglycyl-
Glycine, N-(N-L-leucylglycyl)-
Glycine, N-(N-leucylglycyl)-
L-Leucylglycylglycine
Leucylglycylglycine
Leu-Gly-Gly
37: PN: WO0028996 SEQID: 6 unclaimed protein
110: PN: WO2007046818 PAGE: 60 claimed protein
2-[[2-[[(2S)-2-Azaniumyl-4-methylpentanoyl]amino]acetyl]amino]acetate
2-[2-[(2S)-2-Amino-4-methylpentanamido]acetamido]acetic acid
Identifiers:
SMILES:
CC(C)C[C@H](N)C(O)=NCC(O)=NCC(=O)O
InChI:
InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t7-/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 | 245.28 g/mol | CAS Common Chemistry |
| 245.27899999999997 g/mol | RDKit | |
| 245.137556088 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CNC(=O)CNC(=O)C(N)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VWHGTYCRDRBSFI-ZETCQYMHSA-N | CAS Common Chemistry |
| Name | Leu-Gly-Gly | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 128.5 Ų | RDKit |
| LogP | 0.3574000000000007 | RDKit |
| Molar Refractivity | 64.92780000000002 | RDKit |
