L-leucyl-l-alanine | SBID = 1392 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 92.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.8 | ||
| 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: | 160.8 | ||
| Sum Formula: | C9H18N2O3 | ||
| M / g/mol: | 202.25 | ||
| Complexity: | 216.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest, amino acid
- Name: L-leucyl-l-alanine
- Preferred Abbreviation: L-Leu-L-Ala
- IUPAC Name: (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoic acid
- CAS: 7298-84-2
- CID: 81721
- InChiKey: HSQGMTRYSIHDAC-BQBZGAKWSA-N
- InChi: InChI=1S/C9H18N2O3/c1-5(2)4-7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
- CanoSmiles: CC(C)CC(C(=O)NC(C)C(=O)O)N
- IsoSmiles: C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)N
