lysyllysine | SBID = 1362 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 145.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -4.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 5.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 218.1 | ||
| Sum Formula: | C12H26N4O3 | ||
| M / g/mol: | 274.36 | ||
| Complexity: | 274.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest, amino acid
- Name: lysyllysine
- Preferred Abbreviation: Lys-lys
- IUPAC Name: (2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoic acid
- CAS: 13184-13-9
- CID: 128837
- InChiKey: NVGBPTNZLWRQSY-UWVGGRQHSA-N
- InChi: InChI=1S/C12H26N4O3/c13-7-3-1-5-9(15)11(17)16-10(12(18)19)6-2-4-8-14/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)/t9-,10-/m0/s1
- CanoSmiles: C(CCN)CC(C(=O)NC(CCCCN)C(=O)O)N
- IsoSmiles: C(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N
