Trp-Gly-Gly | SBID = 17 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 137.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.7 | ||
| 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: | 240.9 | ||
| Sum Formula: | C15H18N4O4 | ||
| M / g/mol: | 318.333 | ||
| Complexity: | 457.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, amino acid, typical guest
- Name: Trp-Gly-Gly
- Preferred Abbreviation: Trp-Gly-Gly
- IUPAC Name: 2-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetic acid
- CAS: 23067-32-5
- CID: 7009665
- InChiKey: JVTHMUDOKPQBOT-NSHDSACASA-N
- InChi: InChI=1S/C15H18N4O4/c16-11(15(23)19-7-13(20)18-8-14(21)22)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6,11,17H,5,7-8,16H2,(H,18,20)(H,19,23)(H,21,22)/t11-/m0/s1
- CanoSmiles: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)NCC(=O)O)N
- IsoSmiles: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC(=O)NCC(=O)O)N
