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Glycyl-L-Tryptophan
CAS: 2390-74-1 | C13H15N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2390-74-1
Molecular Formula:
C13H15N3O3
Molecular Mass:
261.28 g/mol
Names and Synonyms:
Glycyl-L-Tryptophan
L-Tryptophan, glycyl-
Tryptophan, N-glycyl-, L-
L-Tryptophan, N-glycyl-
Glycyl-L-tryptophan
Glycyltryptophan
Nα-Glycyl-L-tryptophan
N-Glycyltryptophan
N-Glycyl-L-tryptophan
L-Glycyltryptophan
19: PN: EP2161028 PAGE: 10 claimed protein
12: PN: JP2010248096 PAGE: 2 claimed protein
23: PN: WO2014063098 TABLE: 5 claimed protein
201: PN: WO2011146121 PAGE: 117 claimed sequence
12: PN: WO2012076822 PAGE: 51 claimed sequence
120: PN: US20130123467 SEQID: 144 claimed protein
1: PN: CN109232731 PAGE: 2 claimed sequence
(2S)-2-(2-Aminoacetamido)-3-(1H-indol-3-yl)propanoic acid
(S)-2-(2-Aminoacetamido)-3-(1H-indol-3-yl)propanoic acid
(2S)-2-[(2-Aminoacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
Identifiers:
SMILES:
NCC(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChI:
InChI=1S/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19)/t11-/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 | 261.28 g/mol | CAS Common Chemistry |
| 261.281 g/mol | RDKit | |
| 261.11134134 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)CN)CC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19)/t11-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AJHCSUXXECOXOY-NSHDSACASA-N | CAS Common Chemistry |
| Name | Glycyl-L-tryptophan | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 111.7 Ų | RDKit |
| LogP | 1.0787999999999993 | RDKit |
| Molar Refractivity | 72.54470000000002 | RDKit |
