Phe-Gly-Gly | SBID = 1227 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 122.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -3.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| 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: | 214.1 | ||
| Sum Formula: | C13H17N3O4 | ||
| M / g/mol: | 279.29 | ||
| Complexity: | 354.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, amino acid, typical guest
- Name: Phe-Gly-Gly
- Preferred Abbreviation: Phe-Gly-Gly
- IUPAC Name: 2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
- CAS: 23576-42-3
- CID: 152644
- InChiKey: NAXPHWZXEXNDIW-JTQLQIEISA-N
- InChi: InChI=1S/C13H17N3O4/c14-10(6-9-4-2-1-3-5-9)13(20)16-7-11(17)15-8-12(18)19/h1-5,10H,6-8,14H2,(H,15,17)(H,16,20)(H,18,19)/t10-/m0/s1
- CanoSmiles: C1=CC=C(C=C1)CC(C(=O)NCC(=O)NCC(=O)O)N
- IsoSmiles: C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NCC(=O)O)N
