L-Phenylalanyl-L-alanine | SBID = 1937 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 92.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 185.7 | ||
| Sum Formula: | C12H16N2O3 | ||
| M / g/mol: | 236.27 | ||
| Complexity: | 275.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest, amino acid
- Name: L-Phenylalanyl-L-alanine
- Preferred Abbreviation: L-Phe-L-Ala
- IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoic acid
- CAS: 3918-87-4
- CID: 5488196
- InChiKey: MIDZLCFIAINOQN-WPRPVWTQSA-N
- InChi: InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
- CanoSmiles: CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N
- IsoSmiles: C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
