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Molecule
Glycyl-L-Tryptophan
CAS: 2390-74-1 · C13H15N3O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2390-74-1
- Molecular Formula
- C13H15N3O3
- Molecular Mass
- 261.28 g/mol
Identifiers
CAS Registry Number
2390-74-1
SMILES
NCC(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChI Key
AJHCSUXXECOXOY-NSHDSACASA-N
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
Names and Synonyms
- Glycyl-L-Tryptophan Common Name
- L-Tryptophan, glycyl- Synonym
- Tryptophan, N-glycyl-, L- Synonym
- L-Tryptophan, N-glycyl- Synonym
- Glycyl-L-tryptophan Synonym
- Glycyltryptophan Synonym
- Nα-Glycyl-L-tryptophan Synonym
- N-Glycyltryptophan Synonym
- N-Glycyl-L-tryptophan Synonym
- L-Glycyltryptophan Synonym
- 19: PN: EP2161028 PAGE: 10 claimed protein Synonym
- 12: PN: JP2010248096 PAGE: 2 claimed protein Synonym
- 23: PN: WO2014063098 TABLE: 5 claimed protein Synonym
- 201: PN: WO2011146121 PAGE: 117 claimed sequence Synonym
- 12: PN: WO2012076822 PAGE: 51 claimed sequence Synonym
- 120: PN: US20130123467 SEQID: 144 claimed protein Synonym
- 1: PN: CN109232731 PAGE: 2 claimed sequence Synonym
- (2S)-2-(2-Aminoacetamido)-3-(1H-indol-3-yl)propanoic acid Synonym
- (S)-2-(2-Aminoacetamido)-3-(1H-indol-3-yl)propanoic acid Synonym
- (2S)-2-[(2-Aminoacetyl)amino]-3-(1H-indol-3-yl)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.28 g/mol | CAS Common Chemistry |
| 261.281 g/mol | RDKit | |
| 262.289 g/mol | chempirical lib | |
| 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 |
| 107.91 Ų | chempirical lib | |
| LogP | 1.0787999999999993 | RDKit |
| 1.0788 | RDKit | |
| 1.03 | chempirical lib | |
| Molar Refractivity | 72.54470000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2308 | RDKit |
| Exact Mass | 261.11134134 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 261.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H15N3O3.
