glycyl-l-tryptophyl-glycine | SBID = 64 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 137.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.9 | ||
| 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: | 241.0 | ||
| Sum Formula: | C15H18N4O4 | ||
| M / g/mol: | 318.333 | ||
| Complexity: | 457.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, amino acid, typical guest
- Name: glycyl-l-tryptophyl-glycine
- Preferred Abbreviation: Gly-Trp-Gly
- IUPAC Name: 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
- CAS: 23067-32-5
- CID: 7009647
- InChiKey: PYFIQROSWQERAS-LBPRGKRZSA-N
- InChi: InChI=1S/C15H18N4O4/c16-6-13(20)19-12(15(23)18-8-14(21)22)5-9-7-17-11-4-2-1-3-10(9)11/h1-4,7,12,17H,5-6,8,16H2,(H,18,23)(H,19,20)(H,21,22)/t12-/m0/s1
- CanoSmiles: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)O)NC(=O)CN
- IsoSmiles: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC(=O)O)NC(=O)CN
