Lysyllysyllysine | SBID = 1364 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 200.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -5.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 7.0 | ||
| Number of H-Bond Acceptors: | 8.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 3.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C18H38N6O4 | ||
| M / g/mol: | 402.5 | ||
| Complexity: | 463.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: peptide, typical guest
- Name: Lysyllysyllysine
- Preferred Abbreviation: L-Lys-Lys-Lys
- IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoic acid
- CAS: 13184-14-0
- CID: 72363
- InChiKey: WBSCNDJQPKSPII-KKUMJFAQSA-N
- InChi: InChI=1S/C18H38N6O4/c19-10-4-1-7-13(22)16(25)23-14(8-2-5-11-20)17(26)24-15(18(27)28)9-3-6-12-21/h13-15H,1-12,19-22H2,(H,23,25)(H,24,26)(H,27,28)/t13-,14-,15-/m0/s1
- CanoSmiles: C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)N
- IsoSmiles: C(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N
