Lysylarginine | SBID = 1366 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 183.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -4.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 6.0 | ||
| 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: | 232.6 | ||
| Sum Formula: | C12H26N6O3 | ||
| M / g/mol: | 302.37 | ||
| Complexity: | 357.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: Lysylarginine
- Preferred Abbreviation: Lys-arg
- IUPAC Name: 2-(2,6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoic acid
- CAS:
- CID: 5218539
- InChiKey: NPBGTPKLVJEOBE-UHFFFAOYSA-N
- InChi: InChI=1S/C12H26N6O3/c13-6-2-1-4-8(14)10(19)18-9(11(20)21)5-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)
- CanoSmiles: C(CCN)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)N
- IsoSmiles: C(CCN)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)N
