Gly-Gly-Trp | SBID = 65 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 137.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -3.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 5.0 | ||
| Number of H-Bond Acceptors: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 239.7 | ||
| Sum Formula: | C15H18N4O4 | ||
| M / g/mol: | 318.333 | ||
| Complexity: | 457.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, amino acid, typical guest
- Name: Gly-Gly-Trp
- Preferred Abbreviation: Gly-Gly-Trp
- IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
- CAS: 20762-32-7
- CID: 263478
- InChiKey: UPADCCSMVOQAGF-UHFFFAOYSA-N
- InChi: InChI=1S/C15H18N4O4/c16-6-13(20)18-8-14(21)19-12(15(22)23)5-9-7-17-11-4-2-1-3-10(9)11/h1-4,7,12,17H,5-6,8,16H2,(H,18,20)(H,19,21)(H,22,23)
- CanoSmiles: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CNC(=O)CN
- IsoSmiles: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CNC(=O)CN
