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L-Tryptophanylglycine
CAS: 7360-09-0 | C13H15N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7360-09-0
Molecular Formula:
C13H15N3O3
Molecular Mass:
261.28 g/mol
Names and Synonyms:
L-Tryptophanylglycine
Glycine, L-tryptophyl-
Glycine, N-L-tryptophyl-
L-Tryptophylglycine
L-Tryptophanylglycine
NSC 97945
473: PN: EP2161028 TABLE: 5 claimed protein
24: PN: WO2014063098 TABLE: 5 claimed protein
121: PN: US20130123467 SEQID: 145 claimed protein
8: PN: JP2014079213 TABLE: 2 claimed sequence
1: PN: CN109627344 SEQID: 5 claimed sequence
(S)-2-(2-Amino-3-(1H-indol-3-yl)propanamido)acetic acid
11: PN: WO2019231175 SEQID: 17 claimed protein
2-[[(2S)-2-Azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]acetate
2-[(2S)-2-Amino-3-(1H-indol-3-yl)propanamido]acetic acid
42: PN: WO2020097235 SEQID: 271 claimed protein
Identifiers:
SMILES:
N[C@@H](Cc1c[nH]c2ccccc12)C(O)=NCC(=O)O
InChI:
InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)/t10-/m0/s1
Key Properties
Melting Point
176-178 °C
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 | 261.28 g/mol | CAS Common Chemistry |
| 261.28099999999995 g/mol | RDKit | |
| 261.11134134 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CNC(=O)C(N)CC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)/t10-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UYKREHOKELZSPB-JTQLQIEISA-N | CAS Common Chemistry |
| Melting Point | 176-178 °C | CAS Common Chemistry |
| Name | L-Tryptophanylglycine | 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 | 1.0788000000000002 | RDKit |
| Molar Refractivity | 72.54470000000002 | RDKit |
